Hainanic acid B (CHEBI:225454)

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CHEBI:225454 - Hainanic acid B

Default Structure

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ChEBI ID	CHEBI:225454
ChEBI Name	Hainanic acid B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H42O7
Net Charge	0
Average Mass	514.659
Monoisotopic Mass	514.29305
SMILES	C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O
InChI	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21,23,31,35H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,21+,23-,28+,29-,30+/m1/s1
InChIKey	RVRNJZAQXDIPCI-JKXZXFKOSA-N

Species of Metabolite	Component	Source	Comments
Ganoderma (ncbitaxon:5314)	-	PubMed (25457485)

ChEBI Ontology

Outgoing Relation(s)
	Hainanic acid B (CHEBI:225454) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78442095	ChemSpider