Saponaceoic acid I (CHEBI:201984)

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CHEBI:201984 - Saponaceoic acid I

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ChEBI ID	CHEBI:201984
ChEBI Name	Saponaceoic acid I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48O4
Net Charge	0
Average Mass	472.710
Monoisotopic Mass	472.35526
SMILES	CC(C)(O)/C=C/C[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H48O4/c1-26(2,34)15-8-9-19(25(32)33)20-12-17-30(7)22-10-11-23-27(3,4)24(31)14-16-28(23,5)21(22)13-18-29(20,30)6/h8,15,19-20,23-24,31,34H,9-14,16-18H2,1-7H3,(H,32,33)/b15-8+/t19-,20-,23+,24+,28-,29-,30+/m1/s1
InChIKey	IUSXZNXAUQWXDI-BYVBCEIGSA-N

Species of Metabolite	Component	Source	Comments
Tricholoma saponaceum (ncbitaxon:113602)	-	PubMed (12499599)

ChEBI Ontology

Outgoing Relation(s)
	Saponaceoic acid I (CHEBI:201984) is a triterpenoid (CHEBI:36615)

IUPAC Name
(E,2R)-6-hydroxy-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-4-enoic acid

Manual Xrefs	Databases
78436797	ChemSpider