CHEBI:220387 - +)-(2R,4S,5R,8R)-4-deacetyl-botryenalol

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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 +)-(2R,4S,5R,8R)-4-deacetyl-botryenalol
ChEBI ID CHEBI:220387
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-9-5-11(18)13-12(10(9)6-16)15(4,8-17)7-14(13,2)3/h6,9,11,13,17-18H,5,7-8H2,1-4H3/t9-,11+,13+,15+/m1/s1
InChIKey WMLLMRZLZKFVSY-XECBFPEOSA-N
SMILES O=CC1=C2[C@@](CC([C@H]2[C@@H](O)C[C@H]1C)(C)C)(CO)C
Metabolite of Species Details
Nemania bipapillata (NCBI:txid110536) See: PubMed
ChEBI Ontology
Outgoing +)-(2R,4S,5R,8R)-4-deacetyl-botryenalol (CHEBI:220387) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3R,5R,7S,7aR)-7-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-2H-indene-4-carbaldehyde
Manual Xref Database
77089229 ChemSpider
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