CHEBI:176186 - Cavipetin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:176186
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O8
Net Charge 0
Average Mass 502.604
Monoisotopic Mass 502.25667
InChI InChI=1S/C28H38O8/c1-21(10-6-12-23(3)18-19-35-27(33)16-14-25(29)30)8-5-9-22(2)11-7-13-24(4)20-36-28(34)17-15-26(31)32/h9-10,13-18H,5-8,11-12,19-20H2,1-4H3,(H,29,30)(H,31,32)/b16-14+,17-15+,21-10+,22-9+,23-18+,24-13+
InChIKey AHOSPPOAEYRVLQ-WQNLBOQCSA-N
SMILES O(C\C(=C\CC/C(=C/CC/C(=C/CC/C(/C)=C/COC(=O)/C=C/C(O)=O)/C)/C)\C)C(=O)/C=C/C(O)=O
ChEBI Ontology
Outgoing Cavipetin B (CHEBI:176186) 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]-4-oxobut-2-enoic acid
Manual Xrefs Databases
9412441 ChemSpider
HMDB0030362 HMDB
View more database links