CHEBI:202065 - Tremulenediol 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 Tremulenediol A
ChEBI ID CHEBI:202065
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/c1-10-4-5-11(8-16)14(9-17)13-7-15(2,3)6-12(10)13/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKey DUUZWEOWPLXBAR-TUAOUCFPSA-N
SMILES OCC1=C2[C@H]([C@@H](C)CC[C@@H]1CO)CC(C2)(C)C
Metabolite of Species Details
Phellinus tremulae (NCBI:txid108899) See: DOI
ChEBI Ontology
Outgoing Tremulenediol A (CHEBI:202065) is a primary alcohol (CHEBI:15734)
IUPAC Name
[(5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-3,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol
Manual Xref Database
8439090 ChemSpider
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