Inonotusol A (CHEBI:211764)

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CHEBI:211764 - Inonotusol A

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ChEBI ID	CHEBI:211764
ChEBI Name	Inonotusol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48O6
Net Charge	0
Average Mass	504.708
Monoisotopic Mass	504.34509
SMILES	CC(C)(O)[C@H]1CC[C@H]([C@H]2C[C@H](O)[C@@]3(C)C4=C([C@H](O)C[C@]23C)[C@@]2(C)CC[C@@H](O)C(C)(C)C2CC4=O)[C@@H]1O
InChI	InChI=1S/C30H48O6/c1-26(2)20-13-18(31)24-23(28(20,5)11-10-21(26)33)19(32)14-29(6)17(12-22(34)30(24,29)7)15-8-9-16(25(15)35)27(3,4)36/h15-17,19-22,25,32-36H,8-14H2,1-7H3/t15-,16+,17-,19-,20?,21-,22+,25+,28+,29-,30+/m1/s1
InChIKey	WOIZIKUNTKKOTL-NHXWAXDWSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	PubMed (24359303)

ChEBI Ontology

Outgoing Relation(s)
	Inonotusol A (CHEBI:211764) is a triterpenoid (CHEBI:36615)

IUPAC Name
(3R,10S,11R,13R,14R,15S,17R)-3,11,15-trihydroxy-17-[(1R,2S,3S)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Manual Xrefs	Databases
78441106	ChemSpider