CHEBI:200364 - Brasilane B

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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 Brasilane B
ChEBI ID CHEBI:200364
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O2
Net Charge 0
Average Mass 238.371
Monoisotopic Mass 238.19328
InChI InChI=1S/C15H26O2/c1-10(8-16)13-6-15(2,3)7-14-11(9-17)4-5-12(13)14/h11-12,14,16-17H,4-9H2,1-3H3/t11-,12-,14-/m1/s1
InChIKey WPLVJXWIOYJHTM-YRGRVCCFSA-N
SMILES OCC(=C1[C@@H]2[C@@H]([C@@H](CO)CC2)CC(C1)(C)C)C
Metabolite of Species Details
Coltricia (NCBI:txid40425) See: PubMed
ChEBI Ontology
Outgoing Brasilane B (CHEBI:200364) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
2-[(1S,3aS,7aS)-1-(hydroxymethyl)-6,6-dimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ylidene]propan-1-ol