Polyporenic acid A (CHEBI:204757)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204757 - Polyporenic acid A

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:204757
ChEBI Name	Polyporenic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H50O4
Net Charge	0
Average Mass	486.737
Monoisotopic Mass	486.37091
SMILES	C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O
InChI	InChI=1S/C31H50O4/c1-18(20(3)27(34)35)9-10-19(2)21-13-16-30(7)22-11-12-24-28(4,5)25(32)14-15-29(24,6)23(22)17-26(33)31(21,30)8/h19-21,24-26,32-33H,1,9-17H2,2-8H3,(H,34,35)/t19-,20+,21-,24+,25-,26+,29-,30+,31+/m1/s1
InChIKey	NRYFNXVGUMXREY-QFAREWJTSA-N

Species of Metabolite	Component	Source	Comments
Fomitopsis pinicola (ncbitaxon:40483)	-	DOI (10.1039/jr9400000632)

ChEBI Ontology

Outgoing Relation(s)
	Polyporenic acid A (CHEBI:204757) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2S,6R)-6-[(3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

Manual Xrefs	Databases
10195665	ChemSpider