CHEBI:225637 - Laschiatrion

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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 Laschiatrion
ChEBI ID CHEBI:225637
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H44O6
Net Charge 0
Average Mass 548.720
Monoisotopic Mass 548.31379
InChI InChI=1S/C34H44O6/c1-18(2)19(3)31(40-32(39)21-10-8-7-9-11-21)29(37)20(4)23-12-13-24-27-28(26(36)17-34(23,24)6)33(5)15-14-22(35)16-25(33)30(27)38/h7-11,18-20,23-26,31,36H,12-17H2,1-6H3/t19?,20-,23+,24-,25?,26+,31-,33-,34+/m0/s1
InChIKey IMEAYGLFTXMMLU-NXUYMSFDSA-N
SMILES O=C1CC2C(=O)C=3[C@H]4[C@]([C@@H]([C@@H](C(=O)[C@@H](OC(=O)C5=CC=CC=C5)C(C(C)C)C)C)CC4)(C)C[C@H](C3[C@@]2(C)CC1)O
Metabolite of Species Details
Favolaschia (NCBI:txid139071) See: PubMed
ChEBI Ontology
Outgoing Laschiatrion (CHEBI:225637) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,4,5,6,7,9,9a,10b-decahydrocyclopenta[a]luoren-3-yl]-5,6-dimethyl-3-oxoheptan-4-yl] benzoate
Manual Xref Database
8183262 ChemSpider
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