Exact Mass: 486.3417176
Exact Mass Matches: 486.3417176
Found 500 metabolites which its exact mass value is equals to given mass value 486.3417176
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Quillaic
Quillaic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer). It has a role as an anti-inflammatory agent and a metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and an aldehyde. It is a conjugate acid of a quillate. It derives from a hydride of an oleanane. Quillaic acid is a natural product found in Silene firma, Gypsophila oldhamiana, and other organisms with data available. A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer). Quillaic acid (Quillaja sapogenin) is a natural product used in pain relief research. Quillaic acid (Quillaja sapogenin) is a natural product used in pain relief research.
Glabric acid
Glabric acid is found in herbs and spices. Glabric acid is isolated from Glycyrrhiza glabra (licorice Isolated from Glycyrrhiza glabra (licorice). Glabric acid is found in tea and herbs and spices.
(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
C18H38N12O4 (486.31388280000004)
Ceanothic acid
Ceanothic acid is found in fruits. Ceanothic acid is a constituent of Ceanothus americanus (New Jersey tea) and Zizyphus jujuba (Chinese date).
Lucyin A
Lucyin A is found in fruits. Lucyin A is a constituent of Luffa cylindrica (smooth luffa). Constituent of Luffa cylindrica (smooth luffa). 21b-Hydroxygypsogenin is found in fruits.
Hovenine A
C27H42N4O4 (486.32058920000003)
Hovenine A is an alkaloid from the root bark of Hovenia dulcis (raisin tree
3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al
3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al is found in fruits. 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al is a constituent of Momordica charantia (bitter melon). Constituent of Momordica charantia (bitter melon). 3,7-Dihydroxy-25-methoxycucurbita-5,23-dien-19-al is found in fruits.
Bassic acid
Sapogen from the famine food Madhuca longifolia. Bassic acid is found in fruits. Bassic acid is found in fruits. Sapogen from the famine food Madhuca longifoli
18alpha-Hydroxyglycyrrhetic acid
18alpha-Hydroxyglycyrrhetic acid is found in herbs and spices. 18alpha-Hydroxyglycyrrhetic acid is a constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice) and Glycyrrhiza glabra (licorice). 18alpha-Hydroxyglycyrrhetic acid is found in herbs and spices.
Melilotigenin
Melilotigenin is found in green vegetables. Melilotigenin is a constituent of Melilotus officinalis (sweet clover). Constituent of Melilotus officinalis (sweet clover). Melilotigenin is found in green vegetables.
Actinidic acid
Actinidic acid is found in fruits. Actinidic acid is a constituent of the peel of the unripe fruit of Actinidia deliciosa cv. Golden King (kiwi fruit). Constituent of the peel of the unripe fruit of Actinidia deliciosa cv. Golden King (kiwi fruit). Actinidic acid is found in fruits.
28-Hydroxyglycyrrhetic acid
28-Hydroxyglycyrrhetic acid is found in herbs and spices. 28-Hydroxyglycyrrhetic acid is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). 28-Hydroxyglycyrrhetic acid is found in tea and herbs and spices.
24-Hydroxyglycyrrhetic acid
24-Hydroxyliquiritic acid is found in herbs and spices. 24-Hydroxyliquiritic acid is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). 24-Hydroxyglycyrrhetic acid is found in tea and herbs and spices.
(3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid
(3alpha,15alpha,22R,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid is found in mushrooms. (3alpha,15alpha,22R,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid is a constituent of Ganoderma lucidum (reishi)
(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid
(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid is found in pomes. (2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid is a constituent of apple skin. Constituent of apple skin. (2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid is found in pomes.
Cholesteryl hemisuccinate
(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
C18H38N12O4 (486.31388280000004)
5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol
5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol can be found in bitter gourd, which makes 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol a potential biomarker for the consumption of this food product.
Quillajasaponin
Constituent of Quillaja bark (Quillaja saponaria)
Maslinic acid methyl ester
Maslinic acid methyl ester is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Maslinic acid methyl ester can be found in cloves and loquat, which makes maslinic acid methyl ester a potential biomarker for the consumption of these food products.
delta-Maslinic acid methyl ester
Delta-maslinic acid methyl ester, also known as delta-maslinate methyl ester, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Delta-maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-maslinic acid methyl ester can be found in olive, which makes delta-maslinic acid methyl ester a potential biomarker for the consumption of this food product. Delta-maslinic acid methyl ester, also known as δ-maslinate methyl ester, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Delta-maslinic acid methyl ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Delta-maslinic acid methyl ester can be found in olive, which makes delta-maslinic acid methyl ester a potential biomarker for the consumption of this food product.
Methyl maslinate
methyl (4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Prunella vulgaris with data available.
2-Ethoxycarbonyl-24-ethyl-2beta-hydroxy-A-nor-cholesta-5-en-4-one
Geumonoid
A triterpenoid isolated from whole plants of Geum japonicum and has been shown to exhibit inhibitory activity against HIV-1 protease.
Rosamultic acid
Rosamultic acid is a natural product found in Rosa multiflora with data available.
5beta,19-Epoxy-19-methoxycucurbita-6,23-diene-3beta,25-diol
Quillaic acid
Quillaic acid (Quillaja sapogenin) is a natural product used in pain relief research. Quillaic acid (Quillaja sapogenin) is a natural product used in pain relief research.
Gypsogenic acid
A pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and a hydroxy group at position 3 (the 3beta stereoisomer).
(3β,5ξ,9ξ)-3,23-Dihydroxy-1-oxoolean-12-en-28-oic acid
2-ethoxycarbonyl-2beta,6beta-dihydroxy-24-methyl-A-nor-cholesta-5,22(E)-dien-4-one
(6R,10S,11S,14S,26R)-15,16,17,18,19,20-hexadehydro-14,15,18,19-tetrahydro-26,28-dihydroxy-26,14-cycloiridal
(22S,24S)-20beta-hydroxy-24-methyl-22,25-epoxyfurost-5-ene-3beta-yl acetate|(22S,24S)-24-methyl-22,25-epoxyfurost-5-ene-3beta,20beta-diol-3beta-acetate
11-ketocorosolic acid|2alpha,3beta-dihydroxyurs-12-en-11-on-28-oic acid|ternstroemic acid
12(R)-(3-O-acetyl-beta-D-glucopyranosyloxy)octadecanoic acid 1,2-cyclic ester|gallicaside E
methyl 3alpha,24S-dihydroxytirucalla-8,25-dien-21-oate
3-hydroxy-4-(3-hydroxy-3-methylbutyl)-6-(1-oxopropyl)-2,8-diprenyl-8beta-H-trans-bicyclo[3.3.1]non-2-en-1,5-dione|garcinielliptone A
Hovenine A
C27H42N4O4 (486.32058920000003)
(25R)-3,4-seco-9beta-lanosta-4(28),7-dien-23-one-3,26-dioic acid|23-oxo-3,4-seco-9betaH-lanosta-4(28),7-diene-3,26-dioic acid
3alpha-hydroxy-2alpha-methoxyurs-12-en-28-oic acid
3alpha-yl-propanoate-12alpha-hydroxy-20,24-dimethyl-25-norscalar-17-ene-18,24-carbolactone|phyllolactone B
methyl-3-oxo-19beta,21beta-dihydroxy-30-nor-D:A-friedo-olean-20(29)-en-27-carboxylate
(6R,10S,11S,14S,26R)-(+)-14,15-dihydro-26,29-dihydroxyspiroirida-15(28),16-dienal
3beta-hydroxy-olean-12-ene-28,29-dioic acid|3beta-olean-12-ene-28,29-dioic acid|serragenic acid|serratagenic acid|Serratagensaeure
(6S)-hydroxy-25-methoxy-29-nor-3,4-seco-cycloart-4(30),23-dien-3-oic acid methyl ester
3alpha,21beta,22alpha-trihydroxy-11,13(18)-oleanadien-28-oic acid
3beta,6beta-dihydroxy-11-oxo-olean-12-en-28-oic acid
8alpha,13beta-dihydroxy-labd-14-en-3beta-O-beta-D-glucopyranoside
ent-14-labden-8alpha,13alpha-diol 19-O-beta-D-glucopyranoside
3-Hydroxybutanoyl-12-Hydroxy-24-methyl-24-oxo-16-scalaren-25-al-
2alpha,3alpha-Dihydroxyurs-12-en-24-al-28-oic acid
2??,3??,19??-Trihydroxy-olean-11,13(18)-dien-28-oic acid
(3R,7S,9S,23R)-3,7-dihydroxy-8-oxo-7(8->9)abeo-lanost-24-eno-26,23-lactone|spiromarienonol B
3alpha-Hydroxy-12-oleanene-27,29-dioic acid|3alpha-Hydroxyolean-12-en-27,29-dioic acid
2alpha,3beta,23-trihydroxyurs-12,19(29)-dien-28-oic acid
(6beta)-4,6-dihydroxy-3,4-secolup-20(19)-ene-3,28-dioic acid 3,4-lactone|viburolide
(11R)-11,23-dihydroxy-24,25-epoxy-19-formyl-3-oxo-dammar-20(22)(E)-ene|cordianol E
2??,3??-Dihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oic acid
2alpha,3beta,21beta-trihydroxy-olean-11,13(18)dien-28-oic acid|atricin B
17,22-seco-3-oxo-22,23-dihydroxy-Delta12,16-oleanoic acid|22,23-Dihydroxy-3-oxo-17,22-seco-12,16-oleanadien-28-oic acid
23-Aldehyde-(3alpha,11alpha)-3,11,23-Trihydroxy-20(29)-lupen-28-oic acid
ent-14-labden-8alpha,18-diol 13alpha-O-beta-D-glucopyranoside
3alpha,16alpha,26-trihydroxylanosta-7,9(11),24-trien-21-oic acid
7-oxo-3beta,21beta-dihydroxyolean-12-en-28-oic acid|silymin B
3alpha-hydroxy-lup-20(29)-en-23,28-dioic acid|3alpha-hydroxy-lup-20(29)-ene-23,28-dioic acid|3alpha-hydroxylup-20(29)-ene-23,28-dioic acid
19-beta-D-glucopyranosyloxy-labd-13(E)-en-8alpha,15-diol
3beta,26-dihydroxy-11-oxo-olean-12-en-30-oic acid|3beta,26-Dihydroxy-11-oxo-olean-12-en-30-saeure|Glabrinsaeure
28鈥樏傗垎21-Lactone-(3beta,16alpha,21beta)-3,16,21,30-Tetrahydroxy-12-oleanen-28-oic-acid
(+)-(23E)-25-hydroperoxytirucalla-8,23-dien-3beta-ol-7,11-dione
11alpha,12alpha-epoxy-3beta,13beta,23-trihydroxyoleanan-28-oic acid gamma-lactone|11alpha,12alpha-epoxy-3beta,23-dihydroxyolean-28,13beta-olide|11alpha,12alpha-epoxy-3beta,23-dihydroxyolean-28,13beta-oxide
(2alpha,3alpha)-2,3,24-Trihydroxy-12,27-cyclo-14-taraxeren-28-oic acid
(6beta,20R,24S)-20,24-Epoxy-6,25-dihydroxycycloartane-3,16-dione
Me ester-22beta-Hydroxy-3,21-dioxo-29-nor-24-friedelanoic acid|Methyl-22beta-hydroxy-3,21-dioxo-D:A-friedo-29-noroleanan-24-oate
3beta,6alpha,23-trihydroxyurs-12,19(29)-dien-28-oic acid
2alpha,3alpha,19alpha-trihydroxy-13alpha,27-cyclours-11-en-28-oic acid|2alpha,3alpha-dihydroxyeuscaphic acid A|euscaphic acid C
1-O-acetyl-2-O-[(3R)-3-(acetyloxy)eicosanoyl]-sn-glycerol
24(R)-hydroxy-16alpha,25-epoxy-3-oxocycloartan-30-oic acid|glaucartanoic acid B
3-oxo-1beta,11alpha-dihydroxy-17,22-seco-urs-12-en-22,17-lactone|urmiensolide
(3S,8S,9R,10R,13R,14S,16R,17R,21S,23R,24R)-16,23-epoxy-3,20,24-trihydroxycucurbit-5,25(27)-dien-11-one|elaeocarpucin B
11alpha,23-dihydroxy-3-oxo-lup-20(29)-en-28-oic acid
13beta-28-epoxy-22alpha,23-dihydroxyolean-3,16-dione
2beta-hydroxy-2,3-secotirucalla-2,29-epoxy-7,24-diene-23-oxo-3-oic acid|aphanamgrandin D
(3S,8S,9R,10R,13R,14S,16R,17R,21S,23R,24E)-16,23-epoxy-3,20,27-trihydroxycucurbit-5,24-dien-11-one|elaeocarpucin C
(3S,8S,9R,10R,13R,14S,16R,17R,21R,22R,23S)-16,23-epoxy-3,20,22-trihydroxycucurbit-5,24-dien-11-one|elaeocarpucin G
(3beta,23S,24R,25S)-16,23:23,26-diepoxy-3,24,25-trihydroxylanosta-7(8),9(11)-diene|yunnanterpene E
1-oxo-3beta,29-dihydroxy-olean-12-en-28-oic acid|euscaphic acid I
13(R)-(6-O-acetyl-beta-D-glucopyranosyloxy)octadecanoic acid 1,2-cyclic ester|gallicaside F
16alpha,25-dihydroxy-3,30-dioxocycloartan-30,24(R)-lactone|caloncobalactone A
2alpha,3beta-dihydroxy-11alpha,12alpha-epoxyurs-28,13beta-olide
2beta,3beta-dihydroxy-30-al-olean-12-ene-28-oic acid|eriophyllal
14??,15??-Epoxy-3??-hydroxy-9-oxo-11(10鈥樏傗垎8)-abeolanost-24-trans-en-26-oic acid
12(R)-(6-O-acetyl-beta-D-glucopyranosyloxy)octadecanoic acid 1,2-cyclic ester|gallicaside G
(24E)-3-oxo-27,28-dihydroxycycloart-24-en-26-oic acid
1alpha,3beta-dihydroxy-24-oxocycloart-25-en-28-oic acid|musambin C
3beta,19alpha,23-trihydroxy-13alpha,27-cyclours-11-en-28-oic acid,|euscaphic acid B
(2alpha,3beta)-form-2,3,23-Trihydroxy-12,19-ursadien-28-oic acid
16alpha,23alpha-epoxy-2beta,3beta,20beta-trihydroxy-10alpha,23alpha-cucurbit-5,24-dien-11-one
3,8-Dioxo-7??-hydroxy-7,9-cyclo-7,8-seco-24Z-tirucalladien-26-oic acid
2-ethoxycarbonyl-2beta,6beta-dihydroxy-A-nor-ergosta-5,24(28)-dien-4-one
(5R,8S,9S,10S,13R,14S,17R)-17-(4,6-dihydroxy-6-methyl-5-oxoheptan-2-yl)-1,8,10,11,12,13.14,15,16,17-decahydro-4,4,13,14.tetramethyl-2H-5,9-(epoxymethano)cyclopenta[a]phenanthren-3(4H)-one|23,25-dihydroxy-5beta,19-epoxycucurbit-6-ene-3,24-doine
3beta,6beta-dihydroxy-11alpha,12alpha-epoxyolean-28,13beta-olide
27-nor-5alpha-cholestane-3beta,4beta,5,6alpha,8,14,15alpha,24alpha-octanol
16alpha-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acid (20R)|poricoic acid G
(2alpha,3beta)-form-2,3,23-Trihydroxy-12,18-ursadien-28-oic acid
Lys Ile Val Lys
Ile Lys Ala Arg
7,8-DHC
2a,3a,23-Trihydroxyurs-12,20(30)-dien-28-oic acid
38P86ZU018
Ceanothic acid is a natural product found in Alphitonia excelsa, Alphitonia petriei, and other organisms with data available.
2α,19α-Dihydroxy-3-oxo-urs-12-en-28-oic acid
2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid is a pentacyclic triterpenoid that is urs-12-ene substituted by a carboxy group at position 28, alpha-configured hydroxy groups at positions 2 and 19 and an oxo group at position 3. Isolated from the whole plants of Geum japonicum, it exhibits activity against HIV-1 protease. It has a role as a metabolite and a HIV protease inhibitor. It is an oxo monocarboxylic acid, a diol, a pentacyclic triterpenoid and a secondary alpha-hydroxy ketone. It derives from a hydride of an ursane. 2alpha,19alpha-Dihydroxy-3-oxo-12-ursen-28-oic acid is a natural product found in Rhaphiolepis deflexa, Geum japonicum, and Geum macrophyllum with data available. A pentacyclic triterpenoid that is urs-12-ene substituted by a carboxy group at position 28, alpha-configured hydroxy groups at positions 2 and 19 and an oxo group at position 3. Isolated from the whole plants of Geum japonicum, it exhibits activity against HIV-1 protease.
11-Anhydro-16-oxoalisol A
4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.7.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁸]icosane-5,15-dicarboxylic acid
4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based on: CCMSLIB00000846960]
4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione [IIN-based: Match]
Ala Ile Lys Arg
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Ile Ala Lys Arg
Ile Ala Arg Lys
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Ile Lys Arg Ala
Ile Lys Val Lys
Ile Lys Val Gln
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Ile Leu Asn Lys
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Ile Asn Lys Ile
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Ile Arg Lys Ala
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Leu Arg Lys Ala
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Arg Ala Lys Ile
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Arg Ile Lys Ala
Arg Lys Ala Ile
Arg Lys Ala Leu
Arg Lys Ile Ala
Arg Lys Leu Ala
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Arg Leu Lys Ala
Val Ile Lys Lys
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Val Ile Gln Lys
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Docosahexaenoyl Serotonin
Bassic acid
28-Hydroxyglycyrrhetic acid
24-Hydroxyglycyrrhetic acid
(3beta,15alpha,22S,24E)-3,15,22-Trihydroxylanosta-7,9(11),24-trien-26-oic acid
(2xi,20beta)-2,20-Dihydroxy-3-oxo-12-ursen-28-oic acid
Emmolic acid
Constituent of Ceanothus americanus (New Jersey tea) and Zizyphus jujuba (Chinese date). Ceanothic acid is found in tea and fruits.
Actinidic acid
A pentacyclic triterpenoid that is ursa-12,20(30)-diene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23. It is a phytoalexin isolated from the peel of unripe kiwi fruit Actinidia deliciosa.
Melilotigenin
18a-Hydroxyglycyrrhetic acid
Lucyin A
3alpha,23-dihydroxy-30-oxolup-20(29)-en-28-oic acid
2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethyl N-[6-[2-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethoxycarbonylamino]hexyl]carbamate
5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline
C28H46N4O3 (486.35697259999995)
1-Oxo-3beta,23-dihydroxyolean-12-en-28-oic acid
A natural product found in Juglans sinensis.
2-Hydroxyrubiarbonone E
A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
C18H38N12O4 (486.31388280000004)
4,4,8,10,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
[(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azaniumyl)-3-[(2R,3R,4R,5S,6R)-3-azaniumyl-6-(azaniumylmethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-5-methyloxan-4-yl]-methylazanium
(3S,4S,6aR,6bS,8aS,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
9-[(E,5S,6S)-5,6-dihydroxy-6-[(2R,3R,5S)-5-[(2R,3S)-3-hydroxy-2-methylbutyl]-3-methyloxolan-2-yl]-3-methylhex-2-enoyl]oxynonanoic acid
9-[(2E,5S,6S,7R,8R,10E,12R,13S)-5,6,7,13-tetrahydroxy-3,8,12-trimethyltetradeca-2,10-dienoyl]oxynonanoic acid
Celastolide
A hexacyclic triterpenoid with formula C30H46O5, originally isolated from Tripterygium hypoglaucum.
21-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohenicosanoic acid
(20R)-20-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxohenicosanoic acid
(1R,2R,5S,8R,14R,15R,16S)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
(E,4S,6R)-4-hydroxy-6-[(10R,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
[3-carboxy-2-[(5E,8E,11E,14E,17E,20E)-tricosa-5,8,11,14,17,20-hexaenoyl]oxypropyl]-trimethylazanium
(1-hydroxy-3-pentanoyloxypropan-2-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[3-hydroxy-2-[(E)-undec-4-enoyl]oxypropyl] (5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate
[3-[3-acetyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-1-carboxypropyl]-trimethylazanium
[1-carboxy-3-[3-propanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]propyl]-trimethylazanium
2-[carboxy-[3-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]methoxy]ethyl-trimethylazanium
(1s,2s,6s,7s,8r,10r,11s,14s,15r,18r,20r)-10,20-dihydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid
3,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-7-oxo-3,4,5,6,8,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
(1r,3as,5ar,5br,7ar,8s,9r,11as,11br,12r,13ar,13br)-8-formyl-9,12-dihydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
(2e,5r)-6-[(1r,3s,3ar,7r,9as,11ar)-3,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,3h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid
2-({5-[2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,3br,4r,5ar,9ar,9br,11as)-1-[(3s,5r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4-hydroxy-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2-[(1s,3r,5r,6r,7e,10s)-1,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-3-[(1e,3e,5e)-2,6,10-trimethylundeca-1,3,5,9-tetraen-1-yl]-2-oxaspiro[4.5]decan-7-ylidene]propanal
4-{[3-hydroxy-4-(2-hydroxy-6-methylheptan-2-yl)phenyl]methyl}-2-(2-hydroxy-6-methylheptan-2-yl)-5-(hydroxymethyl)phenol
(1r,3as,5ar,5br,8r,9r,11ar)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(3-oxoprop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
(3r,4r,4as,6as,6br,8ar,10r,12as,12br)-3,4,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b-dodecahydropicene-4a-carboxylic acid
{14-hydroxy-5,5,9-trimethyl-6-[(2-methylbut-2-enoyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-yl}methyl 2-methylbut-2-enoate
3-[7-(2-hydroxypropan-2-yl)-3a,6,9b-trimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-6-yl]propanoic acid
(4as,4br,6r,6as,7r,10as,10br,12as)-8-acetyl-7-formyl-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl (3s)-3-hydroxybutanoate
2-[6-(2-carboxyethyl)-1-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,7h,8h,9h-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
2-{2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-1-yl}-2,6,6-trimethyloxan-3-one
14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,8,8a,11,12,12b,13,14-dodecahydropicene-2-carboxylic acid
21-hydroxy-5,8,11,14,17,24-hexamethyl-20-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid
(1r,3as,5as,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a,5a-dicarboxylic acid
(1s,2s,4s,5r,6s,9s,11r,12r,14r,15s,18s,23r)-9,12-dihydroxy-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosan-25-one
(4as,6ar,6br,8ar,10r,12ar,12br)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a,6a-dicarboxylic acid
(3s,4s,4ar,6ar,6bs,8as,12ar,14ar,14br)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
(2s)-n-[(3r,4r,7r,10z)-7-[(2s)-butan-2-yl]-5,8-dihydroxy-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-4-methyl-2-(methylamino)pentanimidic acid
C27H42N4O4 (486.32058920000003)
(19e,30e,32r)-tetratriaconta-19,30-dien-2,4,6,17,33-pentayne-1,32-diol
(1r,2r,3r,7r,9s,12r,14r,17r,18r,19r,21r,22s)-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracos-4-ene-2,9-diol
2-formyl-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
(3z,3as,5ar,6s,7s,9ar,9bs)-3-[(3e,5e,7e)-9,10-dihydroxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-7-hydroxy-6-(hydroxymethyl)-3a,6,9a-trimethyl-octahydrocyclopenta[a]naphthalen-2-one
1,10-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-3h-picene-4a-carboxylic acid
(4as,6ar,6br,8as,9r,10r,11s,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,8a,9-hexamethyl-1,3,4,5,6,7,8,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
2-[1,10-dihydroxy-2-(1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl)-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
(2s,3r,4s,5s,6r)-2-{[(3s)-5-[(1s,2s,4as,5r,8ar)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-({5-[4-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentyl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1r,4s,5s,8r,9r,12s,13s)-8-[(2r,4r)-4,6-dihydroxy-6-methyl-5-oxoheptan-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-one
2-(2-hydroxy-6-methylheptan-2-yl)-5-[2-(2-hydroxy-6-methylheptan-2-yl)-5-(hydroxymethyl)phenoxymethyl]phenol
(1's,2s,2's,4s,4's,7'r,8'r,9's,12's,13'r,16's)-7'-hydroxy-4,5,5,7',9',13'-hexamethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-yl acetate
n-[5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylbutanimidic acid
C27H42N4O4 (486.32058920000003)
8-(4,6-dihydroxy-6-methyl-5-oxoheptan-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-2-en-16-one
methyl (4r,4ar,6as,6br,8ar,9s,11r,12as,12bs,14ar,14br)-9-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-3,10-dioxo-tetradecahydro-1h-picene-4a-carboxylate
2-[(1s,2s,5s,6r,7z,10s)-1,10-dihydroxy-2-[(3e,5z)-7-hydroxy-6-(4-methylpent-3-en-1-yl)hepta-1,3,5-trien-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal
tricosyl 2,2,3,3,3-pentafluoropropanoate
C26H47F5O2 (486.34960219999994)
(1r,4s,5r,8s,11r,13r,14s,17r,18s,21r,24r)-21-hydroxy-5,8,11,14,17,24-hexamethyl-20-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-11-carboxylic acid
1-(acetyloxy)-3-hydroxypropan-2-yl 3-(acetyloxy)icosanoate
1-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-9-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(2s)-n-[(3s,4s,7r,10z)-5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylbutanimidic acid
C27H42N4O4 (486.32058920000003)