CHEBI:228933 - (3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one

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 (3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one
ChEBI ID CHEBI:228933
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O8
Net Charge 0
Average Mass 450.528
Monoisotopic Mass 450.22537
InChI InChI=1S/C24H34O8/c1-12-7-8-18(28)16(11-25)9-20(31-14(3)26)17-10-19(29)13(2)21(24(17,5)6)23(22(12)30)32-15(4)27/h7,9,17-20,23,25,28-29H,8,10-11H2,1-6H3/b12-7+,16-9-/t17-,18-,19-,20-,23+/m0/s1
InChIKey HHYWWQLZKXSUFQ-BAQFVPLCSA-N
SMILES O([C@@H]1[C@]2(C(C(=C([C@@H](O)C2)C)[C@@H](OC(=O)C)C(=O)C(=CC[C@H](O)C(=C1)CO)C)(C)C)[H])C(=O)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing (3E,7E)-2alpha,10beta-Diacetoxy-5alpha,13alpha,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one (CHEBI:228933) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1R,2S,3Z,5S,7E,10R,13S)-10-acetyloxy-5,13-dihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-2-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] acetate
Manual Xref Database
9012562 ChemSpider
View more database links