Sterebin P1 (CHEBI:218847)

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CHEBI:218847 - Sterebin P1

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ChEBI ID	CHEBI:218847
ChEBI Name	Sterebin P1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H36O4
Net Charge	0
Average Mass	340.504
Monoisotopic Mass	340.26136
SMILES	CC[C@]1(C)O[C@@]2(C)[C@H](C[C@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O
InChI	InChI=1S/C20H36O4/c1-7-19(5)13(21)11-12-18(4)10-8-9-17(2,3)15(18)14(22)16(23)20(12,6)24-19/h12-16,21-23H,7-11H2,1-6H3/t12-,13-,14-,15+,16+,18-,19+,20+/m1/s1
InChIKey	ZDCLORIVXOJNIN-GFOILKFPSA-N

Species of Metabolite	Component	Source	Comments
Saccharomyces (ncbitaxon:4930)	-	DOI (10.1016/j.tetlet.2014.11.012)

ChEBI Ontology

Outgoing Relation(s)
	Sterebin P1 (CHEBI:218847) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R,3S,4aS,5S,6R,6aS,10aS,10bR)-3-ethyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[]chromene-2,5,6-triol