CHEBI:175910 - Cavipetin E isomer 1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cavipetin E isomer 1
ChEBI ID CHEBI:175910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H40O8
Net Charge 0
Average Mass 516.631
Monoisotopic Mass 516.27232
InChI InChI=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+
InChIKey XSSLCSITZPSKDA-QMZNXXBRSA-N
SMILES O(C\C(=C\CC/C(=C/CC/C(=C/CC/C(/C)=C/COC(=O)/C(/C)=C/C(O)=O)/C)/C)\C)C(=O)/C=C/C(O)=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
30778486 ChemSpider
HMDB0059922 HMDB
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