Exact Mass: 586.2468
Exact Mass Matches: 586.2468
Found 500 metabolites which its exact mass value is equals to given mass value 586.2468
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irinotecan
Irinotecan is an antineoplastic enzyme inhibitor primarily used in the treatment of colorectal cancer. It is a derivative of camptothecin that inhibits the action of topoisomerase I. Irinotecan prevents religation of the DNA strand by binding to topoisomerase I-DNA complex, and causes double-strand DNA breakage and cell death. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086
Baccatin III
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent relative retention time with respect to 9-anthracene Carboxylic Acid is 1.041 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.019 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.027 Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1]. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1].
Phycocyanobilin
Phycocyanobilin is a linear, open-chain tetrapyrrole pigment that belongs to the family of bilins. It serves as a chromophore in various phytochrome photoreceptors found in cyanobacteria, as well as in the chlorosomes of green sulfur bacteria. Phycocyanobilin is a key component of phycobiliproteins, which are water-soluble pigments involved in light harvesting during photosynthesis. **Chemical Structure:** Phycocyanobilin has a molecular formula of C33H36N4O6 and a molecular weight of approximately 596.67 g/mol. Structurally, it consists of a porphyrin backbone with four pyrrole rings connected by methine bridges. The pyrrole rings contain nitrogen atoms that coordinate a central magnesium ion in phycobiliproteins. Unlike chlorophyll, phycocyanobilin has an open-chain structure due to the presence of a double bond between the C-20 and C-21 positions of the macrocyclic ring, which prevents it from forming a fully circular porphyrin ring. **Properties:** - **Color:** Phycocyanobilin imparts a blue color to the phycobiliproteins in which it is bound. The specific color is due to the electronic structure of the phycocyanobilin molecule, which allows it to absorb light in the red region of the visible spectrum, typically around 620-630 nm. - **Solubility:** Unlike many other pigments, phycocyanobilin is water-soluble due to its binding to phycobiliproteins, which enhances its functionality in the thylakoid membranes of cyanobacteria. - **Chemical Reactivity:** Phycocyanobilin can be isomerized and oxidized to form other bilins, such as phycoerythrobilin and phycourobilin, which have different spectral properties and can be found in different phycobiliproteins. **Biological Role:** Phycocyanobilin plays a critical role in the photosynthetic process of cyanobacteria and certain green sulfur bacteria. Its primary functions include: - **Light Harvesting:** In phycobiliproteins like phycocyanin, phycocyanobilin serves as a light-harvesting antenna. It absorbs light energy and transfers it to the photosynthetic reaction centers, where it is used to drive the synthesis of ATP and NADPH. - **Photoregulation:** In cyanobacteria, phycocyanobilin is also involved in the regulation of photosynthesis through the action of phytochrome-like photoreceptors. These photoreceptors can switch between a Pr (red-absorbing) and a Pfr (far-red-absorbing) form in response to light, regulating gene expression and various metabolic processes. **Synthesis:** Phycocyanobilin is synthesized from the amino acid L-arginine through a series of enzymatic reactions that include the production of 5-aminolevulinic acid (ALA), which is then transformed into protoporphyrin IX. The protoporphyrin IX is subsequently modified to form phycocyanobilin, a process that involves the removal of the macrocyclic ring and the introduction of the double bond at the C-20 and C-21 positions. In summary, phycocyanobilin is an essential pigment for the photosynthetic apparatus of certain photosynthetic organisms, contributing to their ability to capture and utilize light energy for the production of organic compounds. Its unique structure and properties allow it to perform a variety of functions that are critical to the survival and ecological success of these organisms.
(2R,3Z)-Phycocyanobilin
7-Ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin
Baccatin III
Dalamid
D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins
N-[1-[4-[(2,4-Dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
Baccatin_III
Baccatin III is a tetracyclic diterpenoid isolated from plant species of the genus Taxus. It has a role as a plant metabolite. It is a tetracyclic diterpenoid, an acetate ester and a benzoate ester. It derives from a hydride of a taxane. Baccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. Baccatin III is a compound obtained from the needles of the Taxus baccata tree that is used as a precursor of paclitaxel. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent A tetracyclic diterpenoid isolated from plant species of the genus Taxus. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1]. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1].
3beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E,4E-decadienoate|Yuanhuadin|yuanhuadine
rel-2-methoxy-7-methyl-1,4-naphthalendione-(6->5)-tetrahydropyran-(2eq->O->2ax)-tetrahydropyran-(5->6)-2-methoxy-7-methyl-1,4-naphthalendione
rel-2-{2,6-dimethoxy-4-{tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)furan-2-yl}phenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol|seslignanoccidentaliol A
N1C(=O)C(CC)=C(C)C1=CC(C(=C1CCC(O)=O)C)=NC1=CC1=C(CCC(O)=O)C(C)=C(C=C2C(=C(C)C(=O)N2)CC)N1
cichorioside E|jacquinelin 15-O-beta-D-fructofuranosyl-(2->6)-beta-D-glucopyranoside
(-)-rel-(4R,4aR,7aS,8R,10R,11S,11aS,12aR)-10,11-bis(acetyloxy)-4-(furan-3-yl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,7-dioxo-6,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid methyl ester|cipadesin H|cipatrijugin F
5,7,3,4-tetrahydroxy-8,5-bis(3-methylbut-2-enyl)flavanone-3-O-alpha-L-rhamnopyranoside|dilobenol C
17-defurano-17-(5xi-2,5-dihydroxy-5-hydroxy-2-oxofuran-3-yl)-2?,3?-dehydrosalannol|methyl (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-[(5xi)-2,5-dihydro-5-hydroxy-2-oxofuran-3-yl]-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-bc]difuran-6-acetate
methyl-3beta-tigloyloxy-2,6-dihydroxy-1-oxomeliac-8(30)-enate
2-acetylamino-O4-[O4-(2-acetylamino-2-deoxy-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]-2-deoxy-D-glucose|2-Acetylamino-O4-[O4-(2-acetylamino-2-desoxy-alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]-2-desoxy-D-glucose
(rel-1R,3aS,3bR,4R,5aR,7aR,8aS,11aS,13aR,15R,15aS,16aR,16bR,17aS)-15-(acetyloxy)tetradecahydro-1,4,5a,13,13-pentamethyl-2H,8H-7a,16a-epoxy-10H-3,9,12,17-tetraoxacyclopent[3,3a]azuleno[6,5:5,6]cyclooct[1,2,3-cd]-as-indacene-2,5,10,16(1H,13H)-tetrone|lancifodilactone Q
trichanolide
A limonoid based on a mexicanolide-type skeleton isolated from Trichilia connaroides.
N,N鈥樎?Di-Ac-2-Amino-2-deoxy-beta-D-glucopyranosyl-(1?3)-[2-amino-2-deoxy-beta-D-glucopyranosyl-(1?6)]-D-galactose
7beta,16alpha-acetoxy-4beta,20R-dihydroxy-5beta,6beta-epoxy-1-oxo-witha-2,24-dienolide|7beta,16alpha-diacetoxywithanolide D|7??,16??-Diacetoxy withanolide D
N,N鈥樎?Di-Ac-2-Amino-2-deoxy-alpha-D-galactopyranosyl-(1?3)-beta-D-galactopyranosyl-(1?4)-2-amino-2-deoxy-D-glucose
2-(4-{[(3-ethyl-heptanoyl)oxy]methyl}phenyl)-5,8-dimethoxy-4-oxo-4H-chromen-7-yl 4-methylbenzoate|prunusin B
24,25,26,27-tetranor-apotirucalla-(apoeupha)-6alpha-O-methyl,7alpha-senecioyl(7-deacetyl)-11alpha,12alpha,21,23-tetrahydroxy-21,23-epoxy-2,14,20(22)-trien-1,16-dione|meliatetraolenone
JMV3002
Irinotecan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086
C31H38O11_7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)
(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹?.0?,?]heptadec-13-en-2-yl benzoate
Glu Glu Phe Tyr
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Pipacycline
Tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
1-Methyl-5-[4-[10-(2-naphthalenyl)-9-anthracenyl]phenyl]-2-phenyl-1H-benzimidazole
O-2-(Acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-D-glucose
O-beta-D-Mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranose
O-2-Acetamido-2-deoxy-alpha-D-galactosyl-(1 - 3)-O-beta-D-galactosyl-(1 - 3)-2-acetamido-2-deoxy-D-glucose
O-[2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine 1,1-dimethylethyl ester
beta-D-Galp-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl [1,4-bipiperidine]-1-carboxylate
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
beta-1,4-D-mannopyranosyl-beta-1,4-N-acetyl-D-glucosaminyl-beta-1,4-N-acetyl-D-glucosaminylamine
(2S)-2-amino-N-[[(2S,10R,12S,14S)-12,16,19-trihydroxy-7,14,18-trimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
(E)-3-[11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18,20(23),21-dodecaen-22-yl]prop-2-enoic acid
Trigoxyphin A
A natural product found in Trigonostemon thyrsoideum and Trigonostemon howii.
beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->3)-alpha-D-GalpNAc
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->3)-beta-D-GlcpNAc
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-alpha-D-GalpNAc
beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-alpha-D-(1->2)-Manp
N-acetyl-beta-D-galactosaminyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-alpha-D-mannose
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc
beta-D-galactosyl-(1->3)-N-acetyl-D-galactosaminyl-(1->3)-N-acetyl-D-galactosamine
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine
alpha-D-GlcpNAc-(1->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
beta-D-GlcpNAc-(1->2)-beta-D-Galp-(1->3)-alpha-D-GalpNAc
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-D-GalpNAc
(3R,3R,4S,5R)-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyl-1-[[3-(2-oxo-3-oxazolidinyl)phenyl]methyl]-2-spiro[indole-3,2-oxolane]one
2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide
alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->3)-D-GalpNAc
beta-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
alpha-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc
3,4,5-Trihydroxy-6-[5-hydroxy-2-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
3,4,5-Trihydroxy-6-[5-hydroxy-4-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
(E)-3-[11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18,20(23),21-dodecaen-22-yl]prop-2-enoic acid
[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
[3-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
[1-Heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] dodecanoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] undecanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] tridecanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] tetradecanoate
methyl 2-[(1S,6R,7R,11S,14R,15R,16R,18R)-14,18-diacetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetate
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as octanoyl.
methyl 2-[(1r,2s)-2-[(1ar,3r,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-3-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
methyl (2e)-3-[(1s,2r,4s,7s,8s,11r,12s,16s,17r,18s)-17,18-bis(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(1s,2r,5r,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,8r,10r,11s,15r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,3r,7r,10s,12s,13r,15s,17r,18s,21r,22s,23s,25s,29s)-9,9,18,23,25-pentamethyl-5,14,19,24-tetraoxo-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosan-12-yl acetate
9,9,18,23,25-pentamethyl-5,14,19,24-tetraoxo-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosan-12-yl acetate
2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadecan-16-yl 2-methylpropanoate
methyl 13-ethylidene-8-methyl-18-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
methyl 2-[(1s,2s,3r,5r,6r,13r,14s,16s)-3,14-bis(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
15-hydroxy-9,9,18,20-tetramethyl-17-(4-methyl-5-oxo-2h-furan-2-yl)-5,14,19-trioxo-4,8,23-trioxahexacyclo[13.7.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁰]tricosan-12-yl acetate
2-[4-({[(3s)-3-ethylheptanoyl]oxy}methyl)phenyl]-5,8-dimethoxy-4-oxochromen-7-yl 4-methylbenzoate
1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17s,18r)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2s,3r,4s,7r,9r,10s,12r,15s)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,2r,3r,4r,7r,8s,12r,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadecan-16-yl 2-methylpropanoate
methyl 2-{2-[4,5-bis(acetyloxy)-3-(2-hydroxy-5-oxo-2h-furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl}acetate
(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate
1-acetyl-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN002248","Ingredient_name": "1-acetyl-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C31H38O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "362","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-deoxy-6α-acetoxyatalantin acetate
{"Ingredient_id": "HBIN012312","Ingredient_name": "6-deoxy-6\u03b1-acetoxyatalantin acetate","Alias": "NA","Ingredient_formula": "C31H38O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5146","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acernikol
{"Ingredient_id": "HBIN014375","Ingredient_name": "acernikol","Alias": "NA","Ingredient_formula": "C31H38O11","Ingredient_Smile": "COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC(CO)C(C4=CC(=C(C=C4)O)OC)O)OC)CCCO","Ingredient_weight": "586.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "96","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11146323","DrugBank_id": "NA"}
azedarachin c
{"Ingredient_id": "HBIN017446","Ingredient_name": "azedarachin c","Alias": "NA","Ingredient_formula": "C32H42O10","Ingredient_Smile": "CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C","Ingredient_weight": "586.67","OB_score": "NA","CAS_id": "157653-66-2","SymMap_id": "NA","TCMID_id": "2055","TCMSP_id": "NA","TCM_ID_id": "6452","PubChem_id": "10348330","DrugBank_id": "NA"}
baccatin ii
{"Ingredient_id": "HBIN017481","Ingredient_name": "baccatin ii","Alias": "NA","Ingredient_formula": "C31H38O11","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baccatin v
{"Ingredient_id": "HBIN017485","Ingredient_name": "baccatin v","Alias": "NA","Ingredient_formula": "C31H38O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C","Ingredient_weight": "586.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2076","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14476343","DrugBank_id": "NA"}