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CHEBI:175910 - Cavipetin E isomer 1

ChEBI IDCHEBI:175910
ChEBI NameCavipetin E isomer 1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O8
Net Charge0
Average Mass516.631
Monoisotopic Mass516.27232
SMILESC/C(=C\CC/C(C)=C/COC(=O)/C(C)=C/C(=O)O)CC/C=C(\C)CC/C=C(\C)COC(=O)/C=C/C(=O)O
InChIInChI=1S/C29H40O8/c1-21(11-7-13-23(3)17-18-36-29(35)25(5)19-27(32)33)9-6-10-22(2)12-8-14-24(4)20-37-28(34)16-15-26(30)31/h10-11,14-17,19H,6-9,12-13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b16-15+,21-11+,22-10+,23-17+,24-14+,25-19+
InChIKeyXSSLCSITZPSKDA-QMZNXXBRSA-N
ChEBI Ontology
Outgoing Relation(s)
Cavipetin E isomer 1 (CHEBI:175910) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(E)-4-[(2E,6E,10E,14E)-16-[(E)-3-carboxyprop-2-enoyl]oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid
Manual XrefsDatabases
HMDB0059922HMDB
30778486ChemSpider