methyl glucosyl-3,4-dehydro-apo-8′-lycopenoate (CHEBI:201216)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201216 - methyl glucosyl-3,4-dehydro-apo-8′-lycopenoate

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:201216
ChEBI Name	methyl glucosyl-3,4-dehydro-apo-8′-lycopenoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H52O8
Net Charge	0
Average Mass	624.815
Monoisotopic Mass	624.36622
SMILES	COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)OC1OC(CO)C(O)C(O)C1O
InChI	InChI=1S/C37H52O8/c1-26(15-9-10-16-27(2)21-13-23-30(5)35(42)43-8)17-11-18-28(3)19-12-20-29(4)22-14-24-37(6,7)45-36-34(41)33(40)32(39)31(25-38)44-36/h9-23,31-34,36,38-41H,24-25H2,1-8H3/b10-9+,17-11+,19-12+,21-13+,22-14+,26-15+,27-16+,28-18+,29-20+,30-23+
InChIKey	WBEFBIPYSADVHW-XUXQCMCFSA-N

Species of Metabolite	Component	Source	Comments
Planococcus maritimus (ncbitaxon:192421)	-	PubMed (19194031)

ChEBI Ontology

Outgoing Relation(s)
	methyl glucosyl-3,4-dehydro-apo-8′-lycopenoate (CHEBI:201216) is a triterpenoid (CHEBI:36615)

IUPAC Name
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,11,15,19,23-hexamethyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-2,4,6,8,10,12,14,16,18,20-decaenoate

Manual Xrefs	Databases
27023911	ChemSpider