Resinacein A (CHEBI:215506)

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CHEBI:215506 - Resinacein A

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ChEBI ID	CHEBI:215506
ChEBI Name	Resinacein A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H46O4
Net Charge	0
Average Mass	470.694
Monoisotopic Mass	470.33961
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)C(=O)O
InChI	InChI=1S/C30H46O4/c1-18(9-8-10-19(2)26(33)34)20-13-16-29(6)21-11-12-23-27(3,4)24(32)14-15-28(23,5)25(21)22(31)17-30(20,29)7/h10,18,20,23-24,32H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20?,23?,24+,28+,29+,30-/m1/s1
InChIKey	JICYAOVVIDYKJQ-JUNIJPMISA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Resinacein A (CHEBI:215506) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78442391	ChemSpider