CHEBI:229130 - Glabcensin W

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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 Glabcensin W
ChEBI ID CHEBI:229130
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O9
Net Charge 0
Average Mass 518.603
Monoisotopic Mass 518.25158
InChI InChI=1S/C28H38O9/c1-13-18-11-19(34-14(2)29)22-27(8)10-9-20(35-15(3)30)26(6,7)23(27)21(36-16(4)31)25(37-17(5)32)28(22,12-18)24(13)33/h18-23,25H,1,9-12H2,2-8H3/t18-,19+,20+,21-,22+,23-,25+,27+,28+/m1/s1
InChIKey ZKBSGYHEBWMFOE-QOCFDZAGSA-N
SMILES O([C@@H]1[C@]23[C@]([C@]4([C@]([C@H]1OC(=O)C)(C([C@@H](OC(=O)C)CC4)(C)C)[H])C)([C@@H](OC(=O)C)C[C@](C2)(C(C3=O)=C)[H])[H])C(=O)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Glabcensin W (CHEBI:229130) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name
[(1R,2R,3R,4S,6S,9S,10S,11S,13S)-2,3,11-triacetyloxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Manual Xref Database
4476459 ChemSpider
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