CHEBI:66171 - saponaceol A

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ChEBI Name saponaceol A
ChEBI ID CHEBI:66171
Definition A tetracyclic triterpenoid isolated from Tricholoma saponaceum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H69NO11
Net Charge 0
Average Mass 812.04020
Monoisotopic Mass 811.48706
InChI InChI=1S/C46H69NO11/c1-41(2)33-17-16-29-30(22-34(49)46(8)28(19-20-45(29,46)7)27-15-18-35(42(3,4)54)57-39(27)52)44(33,6)23-32(48)38(41)58-37(51)25-43(5,55)24-36(50)47-31(40(53)56-9)21-26-13-11-10-12-14-26/h10-14,27-28,31-35,38-39,48-49,52,54-55H,15-25H2,1-9H3,(H,47,50)/t27-,28-,31?,32-,33+,34+,35-,38+,39+,43?,44-,45+,46+/m1/s1
InChIKey ZEGGEDOMPWZJBY-HACSTSGFSA-N
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CC(C)(O)CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CCC3=C2C[C@H](O)[C@]2(C)[C@H](CC[C@@]32C)[C@H]2CC[C@@H](O[C@@H]2O)C(C)(C)O)C1(C)C
Metabolite of Species Details
Tricholoma saponaceum (NCBI:txid113602) Found in fruit body (BTO:0000487). Fresh fruit body See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing saponaceol A (CHEBI:66171) has role plant metabolite (CHEBI:76924)
saponaceol A (CHEBI:66171) is a methyl ester (CHEBI:25248)
saponaceol A (CHEBI:66171) is a secondary carboxamide (CHEBI:140325)
saponaceol A (CHEBI:66171) is a tetracyclic triterpenoid (CHEBI:26893)
saponaceol A (CHEBI:66171) is a tetrol (CHEBI:33573)
saponaceol A (CHEBI:66171) is a triterpenoid (CHEBI:36615)
IUPAC Name
rel-methyl N-(3-hydroxy-3-methyl-5-oxo-5-{[(2a,3b,12a,21S,24R)-2,12,21,25-tetrahydroxy-21,24-epoxylanost-8-en-3-yl]oxy}pentanoyl)phenylalaninate
Registry Number Type Source
9893090 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15256717 PubMed citation Europe PMC
Last Modified
09 March 2018