CHEBI:207390 - Botryopimarene 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 Botryopimarene A
ChEBI ID CHEBI:207390
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O4
Net Charge 0
Average Mass 338.488
Monoisotopic Mass 338.24571
InChI InChI=1S/C20H34O4/c1-18(2)15-9-14(22)12-10-19(3,17(24)11-21)7-5-13(12)20(15,4)8-6-16(18)23/h5,12,14-17,21-24H,6-11H2,1-4H3/t12-,14-,15-,16-,17+,19+,20+/m0/s1
InChIKey AGLNNHMUZJAUFJ-PUSYYGFVSA-N
SMILES O[C@@H]1C([C@H]2[C@](C3=CC[C@]([C@H](O)CO)(C)C[C@@H]3[C@H](C2)O)(C)CC1)(C)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Botryopimarene A (CHEBI:207390) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2S,4aS,7R,8aS,9S,10aR)-7-[(1S)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-2,9-diol
Manual Xref Database
81361134 ChemSpider
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