CHEBI:188820 - klyxumine A

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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 klyxumine A
ChEBI ID CHEBI:188820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H40O8
Net Charge 0
Average Mass 456.576
Monoisotopic Mass 456.27232
InChI InChI=1S/C24H40O8/c1-12(2)15-8-11-23(6,32-14(4)26)18-17(15)21-22(5,28)10-9-16(30-13(3)25)24(7,29)20(27)19(18)31-21/h12,15-21,27-29H,8-11H2,1-7H3/t15-,16+,17-,18+,19+,20+,21-,22-,23-,24-/m1/s1
InChIKey MXPJWUTXZSOEAT-ZGFFGHOOSA-N
SMILES O1[C@@]2([C@]3([C@@]([C@]1([C@H](O)[C@](O)([C@@H](OC(=O)C)CC[C@]2(O)C)C)[H])([C@](OC(=O)C)(CC[C@@H]3C(C)C)C)[H])[H])[H]
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing klyxumine A (CHEBI:188820) is a diterpenoid (CHEBI:23849)
IUPAC Name
[(1R,2R,3R,6R,7S,8S,9S,10S,11S,14R)-6-acetyloxy-9,10,14-trihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl] acetate
Manual Xref Database
9628721 ChemSpider
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