Exact Mass: 598.1817

Exact Mass Matches: 598.1817

Found 310 metabolites which its exact mass value is equals to given mass value 598.1817, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pentaacetyl geniposide

Geniposide pentaacetate; Pentaacetyl geniposide

C27H34O15 (598.1898)

Tributyltin oxide

Tributyltin oxide; TBTO

C24H54OSn2 (598.2218)

D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides

Landomycin D

C31H34O12 (598.205)

A natural product found in Streptomyces cyanogenus.

Dexamethazone metasulfobenzoate sodium

C29H32FO9S. Na (598.1649)

Same as: D01510

10-Acetoxyoleuropein

Methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

C27H34O15 (598.1898)

10-Acetoxyoleuropein is found in herbs and spices. 10-Acetoxyoleuropein is a constituent of osmanthus leaves (Osmanthus fragrans). Constituent of osmanthus leaves (Osmanthus fragrans). 10-Acetoxyoleuropein is found in herbs and spices.

Losartan N2-glucuronide

(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid

C28H31ClN6O7 (598.1943)

Losartan N2-glucuronide is only found in individuals that have used or taken Losartan. Losartan N2-glucuronide is a metabolite of Losartan. Losartan n2-glucuronide belongs to the family of Pyranoid Amino Acids and Derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.

C.I. Pigment Red 149

7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C40H26N2O4 (598.1892)

C.I. Pigment Red 149 is a fda approved colourant for food contact polymer FDA approved colourant for food contact polymers

7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

C24H34N6O8S2 (598.1879)

Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside

2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

C27H34O15 (598.1898)

Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside can be found in loquat, which makes leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.

Phloretin 3,5-Di-C-glucoside

4,2,4,6-Tetrahydroxydihydroxychalcone 3,5-Di-C-glucoside

C27H34O15 (598.1898)

calyxin A

(1E,3R,5S) -1,7-Bis (4-hydroxyphenyl) -3- [ 2,6-dihydroxy-4-methoxy-5- [ (E) -1-oxo-3- (4-hydroxyphenyl) -2-propenyl ] phenyl ] -1-heptene-5-ol

C35H34O9 (598.2203)

Glabraoside B

C30H30O13 (598.1686)

Foliachinenoside C

C28H38O14 (598.2261)

Trianguletin

C34H30O10 (598.1839)

Brianodin B

C28H38O14 (598.2261)

Frajunolide F

C28H35ClO12 (598.1817)

Yunnaneic acid F

(+)-Yunnaneic acid F

C29H26O14 (598.1322)

Tinosineside B

C28H38O14 (598.2261)

Paeonidanin A

C31H34O12 (598.205)

Pterogynoside

C29H26O14 (598.1322)

santarubin C

C33H26O11 (598.1475)

Reptanthrin

C34H30O10 (598.1839)

Dendromoniliside E

C28H38O14 (598.2261)

SCHEMBL1436500

C27H27F9N2O3 (598.1878)

Jacaglabroside B

C30H30O13 (598.1686)

3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

C27H34O15 (598.1898)

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

C27H34O15 (598.1898)

Phloretin + C-Hex, C-Hex

C27H34O15 (598.1898)

Annotation level-3

1,2,5,6-Tetra-O-benzoylhexitol #

C34H30O10 (598.1839)

MCULE-2654579527

C27H34O15 (598.1898)

actinoperylone dimethyl ester

C34H30O10 (598.1839)

C28H38O14

C28H38O14 (598.2261)

C28H35ClO12

C28H35ClO12 (598.1817)

1,2,4,6-Tetrabenzoyl-Glucitol

C34H30O10 (598.1839)

(7S,8R)-syringylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside

C28H38O14 (598.2261)

SCHEMBL6936704

C30H34N2O11 (598.2162)

quiquesetinerviusin A

C34H30O10 (598.1839)

3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)-??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside

C27H34O15 (598.1898)

Dermocanarin II

C33H26O11 (598.1475)

3,5-di-C-beta-D-glucopyranosylphloretin

C27H34O15 (598.1898)

3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-<2,3c>-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-glucopyranoside

3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-<2,3c>-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-glucopyranoside

C27H34O15 (598.1898)

daphnodorin M tetramethyl ether

C34H30O10 (598.1839)

Vijayosine

C26H30O16 (598.1534)

9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

pteroidine

C29H39ClO11 (598.2181)

triptexanthoside D

C26H30O16 (598.1534)

NSC650386

C27H34O15 (598.1898)

violide J

C28H38O14 (598.2261)

Rhodoptilometrin bianthrone

C34H30O10 (598.1839)

3,4,4,7-Tetramethoxy-5,5-dihydroxy-8,3-biflavanone

C34H30O10 (598.1839)

eleutherinoside C

C28H38O14 (598.2261)

(2S)-6,8-dimethyl-5,7,2,5-tetrahydroflavanone 7-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranoside|myrciacitrin V

C30H30O13 (598.1686)

3-Methoxy-5,7-dihydroxy-8-[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propionyl]-5-methyl-6-methoxybenzyl]flavone

C34H30O10 (598.1839)

fragilide G

C28H35ClO12 (598.1817)

(7R,8S)-erythro-syringylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside|2-[4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-phenoxy]-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl-beta-D-glucopyranoside

(7R,8S)-erythro-syringylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside|2-[4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-phenoxy]-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl-beta-D-glucopyranoside

C28H38O14 (598.2261)

(-)-5,5-dimethoxy-4-O-(beta-D-glucopyranosyl) lariciresinol

C28H38O14 (598.2261)

Junceellolide A

C28H35ClO12 (598.1817)

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-2-hydroxy-3-methoxybenzoate

C27H34O15 (598.1898)

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-3-hydroxy-2-methoxybenzoate

C27H34O15 (598.1898)

picraquassioside C

C28H38O14 (598.2261)

1-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-3,8-dihydroxy-4,5-dimethoxyxanthone

C26H30O16 (598.1534)

3,3,4,5,9,10-hexahydroxy-12-methylchroman[2,3-h]flavone 3-O-beta-D-glucopyranoside|lactucasativoside A

C29H26O14 (598.1322)

3-O-[beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranosyl]-1,8-dihydroxy-4,5-dimethoxyxanthone|kouitchenside F

C26H30O16 (598.1534)

Reptantrin

C34H30O10 (598.1839)

briacavatolide B

C28H38O14 (598.2261)

swertiapuniside

C26H30O16 (598.1534)

Quercetin 3-O-sambubioside

C26H30O16 (598.1534)

3-methoxy-7-O-beta-(6-galloylglucopyranoside)kaempferol

C29H26O14 (598.1322)

cordifolide A

C28H38O12S (598.2084)

glabraoside C

C30H30O13 (598.1686)

juncenolide M

C28H35ClO12 (598.1817)

1-(2,4-bis-beta-D-glucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-one|1-(2,4-Bis-beta-D-lucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-on|phloretin-2,4-di-O-beta-D-glucopyranoside

1-(2,4-bis-beta-D-glucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-one|1-(2,4-Bis-beta-D-lucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-on|phloretin-2,4-di-O-beta-D-glucopyranoside

C27H34O15 (598.1898)

C31H34O12

C31H34O12 (598.205)

sec-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyl]-oxypeucedanin hydrate

C27H34O15 (598.1898)

C26H30O16

C26H30O16 (598.1534)

3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxy-1-(E)-propenyl)-26-dimethoxyphenoxy]propyl-beta-D-glucopyranoside

C28H38O14 (598.2261)

beta-D-glucopyranosyl (6->1)-beta-D-glucopyranosyl-4-(4-ethylphenyl)gallate|mimusopstannin

C27H34O15 (598.1898)

6-hydroxycalyxin F

C35H34O9 (598.2203)

(1R,3aS,4E,6Z,8S,8aR,9S,11R,12R,12aS,13S,13aS)-5-(chloromethyl)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide C|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14-tetraacetoxy-16-chloro-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide

(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-(chloromethyl)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide C|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14-tetraacetoxy-16-chloro-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide

C28H35ClO12 (598.1817)

5-demethylnovobiocin|TPU-0031-B

C30H34N2O11 (598.2162)

Antibiotic A 39183A

C34H30O10 (598.1839)

Jacaranose

C30H30O13 (598.1686)

duranterectoside A

C27H34O15 (598.1898)

[4-(5-sulfanylidenedithiol-3-yl)phenyl] 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

C32H38O5S3 (598.1881)

{3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-te trahydropyran-2-yl}methyl acetate

C30H30O13 (598.1686)

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.356 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.355

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

NCGC00385154-02!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate

NCGC00347589-02![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate

C30H30O13 (598.1686)

C27H34O15

NCGC00385037-01_C27H34O15_

C27H34O15 (598.1898)

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]

NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]

C27H34O15 (598.1898)

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848662]

C27H34O15 (598.1898)

CP-532623

C27H27F9N2O3 (598.1878)

CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5617; ORIGINAL_PRECURSOR_SCAN_NO 5613 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5639; ORIGINAL_PRECURSOR_SCAN_NO 5637 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5599; ORIGINAL_PRECURSOR_SCAN_NO 5597 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5626; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5625; ORIGINAL_PRECURSOR_SCAN_NO 5622 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5627; ORIGINAL_PRECURSOR_SCAN_NO 5624

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid_major

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid_major

C27H34O15 (598.1898)

JACAGLABROSIDE B_40.5\\%

C30H30O13 (598.1686)

JACAGLABROSIDE B_major

C30H30O13 (598.1686)

JACAGLABROSIDE B_74.3\\%

C30H30O13 (598.1686)

Losartan Metabolite (b-D-Glucopyranuronic acid, 1-[5-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imi

C28H31ClN6O7 (598.1943)

Cys Gln Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Cys Gln Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Cys Trp Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Cys Trp Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Cys Tyr Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Cys Tyr Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Gln Cys Trp Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Gln Cys Tyr Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Gln Trp Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Gln Trp Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

Gln Tyr Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Gln Tyr Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

Trp Cys Gln Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Trp Cys Tyr Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Trp Gln Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.221)

Trp Gln Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

Trp Tyr Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Trp Tyr Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

Tyr Cys Gln Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Tyr Cys Trp Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Tyr Gln Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.221)

Tyr Gln Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

Tyr Trp Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.221)

Tyr Trp Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.221)

12S-acetoxy-punaglandin 1

methyl 5S,6R,7R,12S-tetraacetoxy-9-oxo-10-chloro-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S]

C29H39ClO11 (598.2181)

ACS 67

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester, 5Z-heptenoic acid

C32H38O5S3 (598.1881)

Losartan N2-glucuronide

(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid

C28H31ClN6O7 (598.1943)

Pigment Red 149

7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.2^{2,5}.0^{3,12}.0^{4,9}.0^{13,23}.0^{20,24}]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C40H26N2O4 (598.1892)

10-Acetoxyoleuropein

methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

C27H34O15 (598.1898)

12S-acetoxy-punaglandin 1

methyl 5S,6R,7R,12S-tetraacetoxy-9-oxo-10-chloro-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S]

C29H39O11Cl (598.2181)

Z-Pro-Arg-AMC · HCl

C29H35ClN6O6 (598.2306)

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide,dichloro(3-pyridin-2-ylpropylidene)ruthenium

C29H36Cl2N3Ru (598.133)

(s)-(+)-1,1-bi-2-naphthyl di-p-toluenesulfonate

C34H30O6S2 (598.1484)

Heraclenol 3-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]

C27H34O15 (598.1898)

(3S,5R)-Atorvastatin Calcium Salt

C33H35CaFN2O5 (598.2156)

N,N-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE

C40H26N2O4 (598.1892)

Naringin Hydrate

C27H34O15 (598.1898)

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone

C40H26N2O4 (598.1892)

N-[(1S)-1-[[(6S)-6-[5-(7-BROMO-9,9-DIFLUORO-9H-FLUOREN-2-YL)-1H-IMIDAZOL-2-YL]-5-AZASPIRO[2.4]HEPT-5-YL]CARBONYL]-2-METHYLPROPYL]CARBAMIC ACID METHYL ESTER

C29H29BrF2N4O3 (598.1391)

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-1-methyl-2,3-dioxopiperidine-4-carboxamide

C31H27ClN6O5 (598.1731)

Benzenesulfonic acid, hexadecyl(sulfophenoxy)-, disodium salt

C28H40Na2O7S2 (598.2011)

(R)-(-)-2,2-Bis(p-toluenesulfonyloxy)-1,1-binaphthalene

C34H30O6S2 (598.1484)

1,2-BIS(DICYCLOHEXYLPHOSPHINO)ETHANE]PALLADIUM(II) CHLORIDE

C26H48Cl2P2Pd (598.1643)

(2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester

C27H27F9N2O3 (598.1878)

3-({5-Benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile

C32H30N4O6S (598.1886)

Dexamethazone metasulfobenzoate sodium

C29H32FNaO9S (598.1649)

Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside

C27H34O15 (598.1898)

Gemmacolide H

C28H35ClO12 (598.1817)

ligraminol B

C28H38O14 (598.2261)

A natural product found in Acorus gramineus.

Myrciacitrin V

C30H30O13 (598.1686)

A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2 and 5, methyl groups at positions 6 and 8 and a (6-O-p-hydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase.

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

C34H34N2O6S (598.2137)

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

C34H34N2O6S (598.2137)

Benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-5-propan-2-yl-1-pyrimidinyl)-2-oxolanyl]methyl ester

C33H30N2O9 (598.1951)

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.225)

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.225)

3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261)

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.225)

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.225)

Losartan N1-Glucuronide

C28H31ClN6O7 (598.1943)

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

Gemmacolide H, (rel)-

C28H35ClO12 (598.1817)

A natural product found in Dichotella gemmacea.

ST 22:4;O8;GlcA

C28H38O14 (598.2261)

IACS-010759 (hydrochloride)

C25H26ClF3N6O4S (598.1377)

IACS-010759 hydrochlorideis an orally active, potent mitochondrial complex I of oxidative phosphorylation (OXPHOS) inhibitor. IACS-010759 hydrochlorideinhibits proliferation and induces apoptosis in models of brain cancer and acute myeloid leukemia (AML) reliant on OXPHOS. IACS-010759 hydrochloride has the potential for relapsed/refractory AML and solid tumors research[1][2].

methyl 2-[11,24-dihydroxy-18-(2-methoxy-2-oxoethyl)-7,20-dimethyl-9,22-dioxo-6,19-dioxaheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁶,²¹.0²³,²⁷.0¹⁴,²⁸]octacosa-1,3(8),10(28),11,13,15(27),16(21),23,25-nonaen-5-yl]acetate

methyl 2-[11,24-dihydroxy-18-(2-methoxy-2-oxoethyl)-7,20-dimethyl-9,22-dioxo-6,19-dioxaheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁶,²¹.0²³,²⁷.0¹⁴,²⁸]octacosa-1,3(8),10(28),11,13,15(27),16(21),23,25-nonaen-5-yl]acetate

C34H30O10 (598.1839)

(1'r,2r,2's,3's,7's,8'r,9'r,10'r,11'r,13's,14'r,17'r)-2',7',9'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

(1'r,2r,2's,3's,7's,8'r,9'r,10'r,11'r,13's,14'r,17'r)-2',7',9'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

C28H35ClO12 (598.1817)

4,5-bis(acetyloxy)-2-methoxy-3-[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]benzoic acid

C26H30O16 (598.1534)

(1s,2s,3s,4s,7s,8z,10s,11r,12s,13r,16r,17s)-10,12,16-tris(acetyloxy)-3,4,11,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate

C28H38O14 (598.2261)

(2s,3r,4s,5s,6r)-2-{4-[(2s,3s,4s,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

methyl (4s,5e,6s)-5-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H34O15 (598.1898)

(6-{[2-(2,5-dihydroxyphenyl)-5-hydroxy-6,8-dimethyl-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 4-hydroxybenzoate

C30H30O13 (598.1686)

(2r,3r,4s,5s,6r)-2-[(2r,3s)-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

3,4,5',6',9,10'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol

C34H30O10 (598.1839)

4-{[4-(acetyloxy)-2,9,10-trihydroxy-8-(5-hydroxy-6-methyloxan-2-yl)-2-methyl-1,5-dioxo-3h,4h-benzo[b]fluoren-3-yl]oxy}-4-oxobutanoic acid

C30H30O13 (598.1686)

(2s,3r,4s,5s,6r)-2-{[(1r,3r)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(1's,2r,2's,3'r,4'r,7'r,8's,10'e,12's,13'r,14's,16's)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

(1's,2r,2's,3'r,4'r,7'r,8's,10'e,12's,13'r,14's,16's)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

(2e)-1-{2,4-dihydroxy-3-[(2r,3s,4r,6s)-3-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one

C35H34O9 (598.2203)

(3r)-10-hydroxy-7-methoxy-3-methyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one

C27H34O15 (598.1898)

2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

5-{8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl}-3-methylpent-4-en-2-yl 2-methoxy-2-phenylacetate

C32H35ClO9 (598.1969)

(2r,3r,4s,5s,6r)-2-{[(2e)-3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,20,22,24,27-decaene-3,10,15,19,26-pentone

C33H26O11 (598.1475)

2,6,7-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate

C28H35ClO12 (598.1817)

1,8-dihydroxy-5,6-dimethoxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one

C26H30O16 (598.1534)

2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

(2s,4as,6as,7r,9s,10r,10ar,10bs)-9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate

(2s,4as,6as,7r,9s,10r,10ar,10bs)-9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate

C28H38O14 (598.2261)

(2r)-2-[(2s,3s)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2,3-dihydro-1-benzopyran-4-one

C34H30O10 (598.1839)

methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34O15 (598.1898)

13-o-[β-d-apiofuranosyl(1→6)-β-d-gluco-pyranosyl]-(12r)-heraclenol

C27H34O15 (598.1898)

{"Ingredient_id": "HBIN001272","Ingredient_name": "13-o-[\u03b2-d-apiofuranosyl(1\u21926)-\u03b2-d-gluco-pyranosyl]-(12r)-heraclenol","Alias": "NA","Ingredient_formula": "C27H34O15","Ingredient_Smile": "CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1510","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-β-d-apiofuranosyl(1→2)]-β-d-glucopyranoside

C27H34O15 (598.1898)

{"Ingredient_id": "HBIN007415","Ingredient_name": "3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-\u03b2-d-apiofuranosyl(1\u21922)]-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H34O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6079","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

1-{3-[5-hydroperoxy-3,7-bis(4-hydroxyphenyl)hept-1-en-1-yl]-2,4-dihydroxy-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one

C35H34O9 (598.2203)

4,5-dihydroxy-1,2-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one

C26H30O16 (598.1534)

6-[(3,4-dihydroxy-2-methoxyphenyl)methyl]-7-(3,4-dihydroxyphenyl)-2,10-dihydroxy-9,11-dimethoxy-5-oxatetraphen-3-one

C33H26O11 (598.1475)

(1r,2s,6s,7r,8r,9r)-10-[(1e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-8-(3,4-dihydroxyphenyl)-2,6-dihydroxy-4-oxo-3-oxatricyclo[5.2.2.0²,⁶]undec-10-ene-9-carboxylic acid

(1r,2s,6s,7r,8r,9r)-10-[(1e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-8-(3,4-dihydroxyphenyl)-2,6-dihydroxy-4-oxo-3-oxatricyclo[5.2.2.0²,⁶]undec-10-ene-9-carboxylic acid

C29H26O14 (598.1322)

methyl 4a,7-dihydroxy-6-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34O15 (598.1898)

3,3',4,4',9,9'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol

C34H30O10 (598.1839)

(1'r,2s,2'r,3's,4's,7's,8'r,10'e,12'r,13'r,14's,15'r)-2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

(1'r,2s,2'r,3's,4's,7's,8'r,10'e,12'r,13'r,14's,15'r)-2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-3,4,5-triol

C28H38O14 (598.2261)

(2r,2's,3's,7's,8'r,9'r,10'r,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

(2r,2's,3's,7's,8'r,9'r,10'r,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

C28H35ClO12 (598.1817)

[(2r,3s,4s,5r,6s)-6-{[(1s,3s,6s,8s,9s)-9-[(benzoyloxy)methyl]-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C31H34O12 (598.205)

(1'r,2r,2's,3's,7's,8'r,9'r,10's,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

(1'r,2r,2's,3's,7's,8'r,9'r,10's,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

C28H35ClO12 (598.1817)

1-{2,4-dihydroxy-3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-2-{2,4-dihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}ethane-1,2-dione

C26H30O16 (598.1534)

(2r,3r,4e)-5-[(1s,10s,12r,13r,14r,17r)-8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl]-3-methylpent-4-en-2-yl (2s)-2-methoxy-2-phenylacetate

(2r,3r,4e)-5-[(1s,10s,12r,13r,14r,17r)-8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl]-3-methylpent-4-en-2-yl (2s)-2-methoxy-2-phenylacetate

C32H35ClO9 (598.1969)

(2s,3r,4s,5s,6r)-2-{[(3r,4r,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3,5-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

C27H34O15 (598.1898)

(2s,3r,4s,5s,6r)-2-{4-[(2r,3s,4s,5r)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

9-[(2r)-3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

2',14',16'-tris(acetyloxy)-9'-(chloromethyl)-3'-hydroxy-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-12'-yl acetate

C28H35ClO12 (598.1817)

(1s,2r,3r,6r,7s,8r,9r,11s,13r,14s,17s)-2,6,7-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate

C28H35ClO12 (598.1817)

(2s,3r,4s,5s,6r)-2-{[(1r,3s)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

{[5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C30H34N2O11 (598.2162)

8-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-1,6,11-trihydroxy-3-methyl-5,6-dihydrotetraphene-7,12-dione

C31H34O12 (598.205)

1,8-dihydroxy-4,5-dimethoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}xanthen-9-one

C26H30O16 (598.1534)

{[(3s,4r,5s,6s)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C30H34N2O11 (598.2162)

(9r,9's)-2,2',4,4',5,5'-hexahydroxy-7,7'-bis[(1s)-1-hydroxypropyl]-9h,9'h-[9,9'-bianthracene]-10,10'-dione

C34H30O10 (598.1839)

[(1s,4ar,5s,7as)-5-(acetyloxy)-1-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl acetate

C27H34O15 (598.1898)

(1s,2r,3s,4s,7s,8z,10s,11r,12r,13s,16r,17s)-10,11,12-tris(acetyloxy)-3,4,16,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate

C28H38O14 (598.2261)

2-({10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}oxy)-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

2',7',9'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-10'-yl acetate

C28H35ClO12 (598.1817)

2,2',4,4',5,5'-hexahydroxy-7,7'-bis(1-hydroxypropyl)-9h,9'h-[9,9'-bianthracene]-10,10'-dione

C34H30O10 (598.1839)

8-(acetyloxy)-2,2',2',9,13-pentamethyl-6-methylidene-6',11,15,16-tetraoxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-3-yl 2-methylbut-2-enoate

C31H34O12 (598.205)

2-[3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(1r,2s,3s,7s,8r,9r,10r,11r,13s,14r,17r)-7,9,10-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-2-yl acetate

C28H35ClO12 (598.1817)

8-{[2,4-dihydroxy-6-methoxy-5-methyl-3-(3-phenylpropanoyl)phenyl]methyl}-3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one

C34H30O10 (598.1839)

(4r,5s,14s)-4,14-bis(3,4-dihydroxyphenyl)-8-hydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-12-one

C30H30O13 (598.1686)

(2e)-1-{3-[(1e,3s,5s)-5-hydroperoxy-3,7-bis(4-hydroxyphenyl)hept-1-en-1-yl]-2,4-dihydroxy-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one

C35H34O9 (598.2203)

5-hydroxy-2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C34H30O10 (598.1839)

[(2r,3s,4s,5r,6s)-6-({9-[(benzoyloxy)methyl]-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-1-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C31H34O12 (598.205)

9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate

C28H38O14 (598.2261)

2-{[5-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(3r)-10-hydroxy-7-methoxy-3-methyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one

C27H34O15 (598.1898)

(2s,3r,4s,5r,6r)-2-{4-[(2r,3s,4s,5r)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(2s)-2-[(2r,3r)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2,3-dihydro-1-benzopyran-4-one

C34H30O10 (598.1839)

(2r,3r,4s,5s,6r)-2-[(2s,3r)-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(1'r,2r,2's,3's,7's,8'r,9'r,10'r,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

(1'r,2r,2's,3's,7's,8'r,9'r,10'r,11's,13's,14'r,17'r)-7',9',10'-tris(acetyloxy)-13'-chloro-8',17'-dimethyl-12'-methylidene-16'-oxo-15',18'-dioxaspiro[oxirane-2,4'-tetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan]-2'-yl acetate

C28H35ClO12 (598.1817)

10-hydroxy-7-methoxy-3-methyl-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one

C27H34O15 (598.1898)

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-5-(4-ethylphenoxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3,4,5-trihydroxybenzoate

C27H34O15 (598.1898)

(13s)-13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,20,22,24,27-decaene-3,10,15,19,26-pentone

C33H26O11 (598.1475)

(1's,2r,2's,3's,4'r,7'r,8's,10'e,12's,13's,14'r,15's)-2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

(1's,2r,2's,3's,4'r,7'r,8's,10'e,12's,13's,14'r,15's)-2',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

4,5-dihydroxy-1,2-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one

C26H30O16 (598.1534)

2-{4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(6r)-8-{[(2s,4r,5r,6r)-5-{[(2s,4r,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-1,6,11-trihydroxy-3-methyl-5,6-dihydrotetraphene-7,12-dione

C31H34O12 (598.205)

3,3',4,4',8,8'-hexamethoxy-[1,1'-biphenanthrene]-2,2',7,7'-tetrol

C34H30O10 (598.1839)

10-{3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl}-8-(3,4-dihydroxyphenyl)-2,6-dihydroxy-4-oxo-3-oxatricyclo[5.2.2.0²,⁶]undec-10-ene-9-carboxylic acid

C29H26O14 (598.1322)

(2s,3r,4s,5s,6r)-2-{4-[(2s,3r,4r,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

2-{[2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

(1s,2s,3r,5r,7r,8s,9r,12r,13r)-8-(acetyloxy)-2,2',2',9,13-pentamethyl-6-methylidene-6',11,15,16-tetraoxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-3-yl (2e)-2-methylbut-2-enoate

(1s,2s,3r,5r,7r,8s,9r,12r,13r)-8-(acetyloxy)-2,2',2',9,13-pentamethyl-6-methylidene-6',11,15,16-tetraoxo-10,14,17-trioxaspiro[pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane-5,3'-pyran]-3-yl (2e)-2-methylbut-2-enoate

C31H34O12 (598.205)

5-hydroxy-2-[5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-2-yl]-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one

C34H30O10 (598.1839)

(13r)-13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.0²,¹¹.0⁴,⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2(11),4,6,8,17,20,22,24,27-decaene-3,10,15,19,26-pentone

C33H26O11 (598.1475)

[(2r,3r,4s,5r,6s)-6-{[(1r,3r,6s,8s,9s)-9-[(benzoyloxy)methyl]-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.0³,⁹]nonan-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C31H34O12 (598.205)

(2s,3r,4s,5s,6r)-2-{[(1r,3r)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

2-(hydroxymethyl)-6-{2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-3,4,5-triol

C28H38O14 (598.2261)

2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 3,4,5-trihydroxybenzoate

C29H26O14 (598.1322)

[5-(acetyloxy)-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-7-yl]methyl acetate

C27H34O15 (598.1898)

6-({[5-(4-ethylphenoxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3,4,5-trihydroxybenzoate

C27H34O15 (598.1898)

2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 3,5-dihydroxy-4-methoxybenzoate

C29H26O14 (598.1322)

4,5-bis(acetyloxy)-2-methoxy-3-[(2r,3s,4r,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]benzoic acid

C26H30O16 (598.1534)

(3r)-10-hydroxy-7-methoxy-3-methyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one

C27H34O15 (598.1898)

(2s,3r,4r,5s,6s)-2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 3,5-dihydroxy-4-methoxybenzoate

C29H26O14 (598.1322)

methyl 5-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H34O15 (598.1898)

(1s,2s,3s,6s,7r,8s,9s,11s,13s,14r,17r)-2,6,7-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate

C28H35ClO12 (598.1817)

4-{[(2s,3r,4s)-4-(acetyloxy)-2,9,10-trihydroxy-8-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]-2-methyl-1,5-dioxo-3h,4h-benzo[b]fluoren-3-yl]oxy}-4-oxobutanoic acid

C30H30O13 (598.1686)

methyl 2-[(5s,7r,18s,20r)-11,24-dihydroxy-18-(2-methoxy-2-oxoethyl)-7,20-dimethyl-9,22-dioxo-6,19-dioxaheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁶,²¹.0²³,²⁷.0¹⁴,²⁸]octacosa-1,3(8),10(28),11,13,15(27),16(21),23,25-nonaen-5-yl]acetate

methyl 2-[(5s,7r,18s,20r)-11,24-dihydroxy-18-(2-methoxy-2-oxoethyl)-7,20-dimethyl-9,22-dioxo-6,19-dioxaheptacyclo[13.11.1.1²,¹⁰.0³,⁸.0¹⁶,²¹.0²³,²⁷.0¹⁴,²⁸]octacosa-1,3(8),10(28),11,13,15(27),16(21),23,25-nonaen-5-yl]acetate

C34H30O10 (598.1839)

bis({2,4-dihydroxy-3-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl})ethane-1,2-dione

C26H30O16 (598.1534)

(3r)-4-{1,5-dihydroxy-6-[(2r,4r,5s,6r)-4-hydroxy-6-methyl-5-{[(2r,6s)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]-9,10-dioxoanthracen-2-yl}-3-hydroxy-3-methylbutanoic acid

C31H34O12 (598.205)

[(2r,3s,4s,5r,6s)-3,4-dihydroxy-6-{[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy}-5-[(2-phenylacetyl)oxy]oxan-2-yl]methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

C30H30O13 (598.1686)

bis({2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl})ethane-1,2-dione

C26H30O16 (598.1534)

(2s,3r,4s,5s,6r)-2-{4-[(1r,2r)-1,3-dihydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

4-[(2r)-2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

4-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

(1r,2s,3s,6s,7r,8s,9s,11s,13s,14r,17r)-2,6,7-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate

C28H35ClO12 (598.1817)

{[3-hydroxy-2-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-5-methoxy-6-methyloxan-4-yl]oxy}methanimidic acid

C30H34N2O11 (598.2162)

9-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

1,8-dihydroxy-5,6-dimethoxy-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]xanthen-9-one

C26H30O16 (598.1534)

4-[(2r)-3-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

(4r,5s,14r)-4,14-bis(3,4-dihydroxyphenyl)-8-hydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-12-one

C30H30O13 (598.1686)

(2r,3r,4s,5s,6r)-2-{[(2s,3r,4r,5s)-2,5-bis(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261)

5-hydroxy-2-methyl-9-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

C27H34O15 (598.1898)

(1r,2s,6s,7r,8s,9r)-10-[(1e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-8-(3,4-dihydroxyphenyl)-2,6-dihydroxy-4-oxo-3-oxatricyclo[5.2.2.0²,⁶]undec-10-ene-9-carboxylic acid

(1r,2s,6s,7r,8s,9r)-10-[(1e)-3-[(1r)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-8-(3,4-dihydroxyphenyl)-2,6-dihydroxy-4-oxo-3-oxatricyclo[5.2.2.0²,⁶]undec-10-ene-9-carboxylic acid

C29H26O14 (598.1322)

{[(2r,3s,4r,5r,6r)-3-hydroxy-2-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-5-methoxy-6-methyloxan-4-yl]oxy}methanimidic acid

C30H34N2O11 (598.2162)

2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzopyran-4-one

C34H30O10 (598.1839)

2,7,10-tris(acetyloxy)-13-chloro-11-hydroxy-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0¹,¹⁴.0³,⁸]octadecan-9-yl acetate

C28H35ClO12 (598.1817)

(1's,2r,2'r,3'r,4's,7's,8's,10'e,12'r,13's,14'r,16'r)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

(1's,2r,2'r,3'r,4's,7's,8's,10'e,12'r,13's,14'r,16'r)-2',14',16'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecan]-10'-en-12'-yl acetate

C28H35ClO12 (598.1817)

(1's,2r,2's,3's,4'r,7's,8'e,10'z,12's,13'r,14's,16'r)-2',14',16'-tris(acetyloxy)-9'-(chloromethyl)-3'-hydroxy-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-12'-yl acetate

(1's,2r,2's,3's,4'r,7's,8'e,10'z,12's,13'r,14's,16'r)-2',14',16'-tris(acetyloxy)-9'-(chloromethyl)-3'-hydroxy-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0³,⁷]heptadecane]-8',10'-dien-12'-yl acetate

C28H35ClO12 (598.1817)

8-({2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propanoyl]-6-methoxy-5-methylphenyl}methyl)-5,7-dihydroxy-3-methoxy-2-phenylchromen-4-one

C34H30O10 (598.1839)

5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

C27H34O15 (598.1898)

(2r,3r,4e)-5-[(1s,10s,12r,13r,14r,17r)-8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl]-3-methylpent-4-en-2-yl (2r)-2-methoxy-2-phenylacetate

C32H35ClO9 (598.1969)

4-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one

C27H34O15 (598.1898)

(3r)-4-{1,5-dihydroxy-6-[(1r,3s,5s,6r,8s,10r,12r,14r)-6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]-9,10-dioxoanthracen-2-yl}-3-hydroxy-3-methylbutanoic acid

C31H34O12 (598.205)

3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3,5-bis[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

C27H34O15 (598.1898)

4,14-bis(3,4-dihydroxyphenyl)-8-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-12-one

C30H30O13 (598.1686)

6-[(3,4-dihydroxy-2-methoxyphenyl)methyl]-8-(3,4-dihydroxyphenyl)-2,10-dihydroxy-9,11-dimethoxy-5-oxatetraphen-3-one

C33H26O11 (598.1475)