Aeruginosol A (CHEBI:202840)

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CHEBI:202840 - Aeruginosol A

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ChEBI ID	CHEBI:202840
ChEBI Name	Aeruginosol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O6
Net Charge	0
Average Mass	506.724
Monoisotopic Mass	506.36074
SMILES	CC(C)(O)[C@H]1CCC([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)C4=C[C@H](O)[C@]23C)[C@@H](O)O1
InChI	InChI=1S/C30H50O6/c1-26(2)21-10-9-18-19(28(21,5)15-20(31)24(26)33)14-22(32)30(7)17(12-13-29(18,30)6)16-8-11-23(27(3,4)35)36-25(16)34/h14,16-18,20-25,31-35H,8-13,15H2,1-7H3/t16?,17-,18-,20-,21+,22+,23-,24+,25+,28-,29+,30+/m1/s1
InChIKey	ZGSKFHCIYIXUFJ-JASIWZOFSA-N

Species of Metabolite	Component	Source	Comments
Stropharia aeruginosa (ncbitaxon:109659)	-	PubMed (17885840)

ChEBI Ontology

Outgoing Relation(s)
	Aeruginosol A (CHEBI:202840) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R,3R,5R,8S,10S,12S,13R,14S,17R)-17-[(2S,6R)-2-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol

Manual Xrefs	Databases
78436920	ChemSpider