Resinacein B (CHEBI:215511)

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CHEBI:215511 - Resinacein B

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ChEBI ID	CHEBI:215511
ChEBI Name	Resinacein B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48O3
Net Charge	0
Average Mass	456.711
Monoisotopic Mass	456.36035
SMILES	C/C(=C\CC[C@@H](C)C1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)CO
InChI	InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21?,24?,25+,28+,29+,30-/m1/s1
InChIKey	NMCAFQWJQYPXBS-ZQDYJVBASA-N

Species of Metabolite	Component	Source	Comments
Ganoderma resinaceum (ncbitaxon:34465)	-	PubMed (29490285)

ChEBI Ontology

Outgoing Relation(s)
	Resinacein B (CHEBI:215511) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78442392	ChemSpider