Erythrolic acid A (CHEBI:208636)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208636 - Erythrolic acid A

Take structure to advanced search

ChEBI ID	CHEBI:208636
ChEBI Name	Erythrolic acid A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H42O7
Net Charge	0
Average Mass	502.648
Monoisotopic Mass	502.29305
SMILES	C/C(=C/CC(=O)O)CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O
InChI	InChI=1S/C29H42O7/c1-20(10-13-23-19-24(28(34)35)14-15-25(23)30)7-5-8-21(2)11-16-26(31)29(4,36)18-6-9-22(3)12-17-27(32)33/h8,10,12,14-15,19,26,30-31,36H,5-7,9,11,13,16-18H2,1-4H3,(H,32,33)(H,34,35)/b20-10+,21-8+,22-12-/t26-,29+/m0/s1
InChIKey	SUWYEZQQUCEUCJ-PXBVVGOYSA-N

Species of Metabolite	Component	Source	Comments
Erythrobacterspecies (ncbitaxon:1042)	-	PubMed (22384985)

ChEBI Ontology

Outgoing Relation(s)
	Erythrolic acid A (CHEBI:208636) is a diterpenoid (CHEBI:23849)

IUPAC Name
3-[(2E,6E,10S,11R,15Z)-17-carboxy-10,11-dihydroxy-3,7,11,15-tetramethylheptadeca-2,6,15-trienyl]-4-hydroxybenzoic acid

Manual Xrefs	Databases
29214670	ChemSpider