Stereinone B (CHEBI:217522)

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CHEBI:217522 - Stereinone B

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ChEBI ID	CHEBI:217522
ChEBI Name	Stereinone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O4
Net Charge	0
Average Mass	470.694
Monoisotopic Mass	470.33961
SMILES	C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)C3=C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H46O4/c1-19(10-9-15-26(2,3)34-33)20-13-17-29(7)21-11-12-23-27(4,5)24(31)14-16-28(23,6)22(21)18-25(32)30(20,29)8/h9,15,19-20,23,33H,10-14,16-18H2,1-8H3/b15-9+/t19-,20-,23+,28-,29+,30+/m1/s1
InChIKey	UCAWHZRGCBFVGU-HNIPKULCSA-N

Species of Metabolite	Component	Source	Comments
Stereumspecies (ncbitaxon:1849817)	-	PubMed (29197540)

ChEBI Ontology

Outgoing Relation(s)
	Stereinone B (CHEBI:217522) is a triterpenoid (CHEBI:36615)

IUPAC Name
(5R,10S,13R,14S,17R)-17-[(E,2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,11,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,12-dione