CHEBI:9388 - Taccalonolide A

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ChEBI Name Taccalonolide A
ChEBI ID CHEBI:9388
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H46O14
Net Charge 0
Average Mass 702.743
Monoisotopic Mass 702.28876
InChI InChI=1S/C36H46O14/c1-12-10-19-35(8,36(9,44)32(43)50-19)24-21(12)34(7)22(28(24)45-13(2)37)20-23(29(46-14(3)38)31(34)48-16(5)40)33(6)17(25(41)26(20)42)11-18-27(49-18)30(33)47-15(4)39/h10,12,17-18,20-24,26-31,42,44H,11H2,1-9H3/t12-,17-,18+,20+,21+,22-,23-,24+,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-/m1/s1
InChIKey PTTJLTMUKRRHAT-VJAKQJMOSA-N
SMILES C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](OC(C)=O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Taccalonolide A (CHEBI:9388) is a withanolide (CHEBI:74716)
Synonym Source
Taccalonolide A KEGG COMPOUND
Manual Xrefs Databases
C00003756 KNApSAcK
C08635 KEGG COMPOUND
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Registry Number Type Source
108885-68-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014