CHEBI:204400 - Bipolenin 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 Bipolenin A
ChEBI ID CHEBI:204400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O3
Net Charge 0
Average Mass 254.370
Monoisotopic Mass 254.18819
InChI InChI=1S/C15H26O3/c1-9(2)11-4-5-15(3)10(7-16)6-12(11)14(15)13(18)8-17/h6,9,11-14,16-18H,4-5,7-8H2,1-3H3/t11-,12+,13?,14-,15+/m1/s1
InChIKey RXPKQHKDOKEKEV-WQGXVZNYSA-N
SMILES OC([C@@H]1[C@@]2(C(CO)=C[C@H]1[C@@H](C(C)C)CC2)C)CO
Metabolite of Species Details
Bipolaris eleusines (NCBI:txid91366) See: PubMed
ChEBI Ontology
Outgoing Bipolenin A (CHEBI:204400) is a secondary alcohol (CHEBI:35681)
IUPAC Name
1-[(1R,4R,5R,8S)-7-(hydroxymethyl)-1-methyl-4-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]ethane-1,2-diol
Manual Xref Database
78440989 ChemSpider
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