CHEBI:203997 - 3beta,13-dihydroxyledol

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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 3beta,13-dihydroxyledol
ChEBI ID CHEBI:203997
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/c1-8-11(17)6-10-12(8)13-9(14(13,2)7-16)4-5-15(10,3)18/h8-13,16-18H,4-7H2,1-3H3/t8-,9-,10+,11+,12-,13-,14+,15-/m1/s1
InChIKey DPIHDXXCXGFSJX-RZULFSQCSA-N
SMILES O[C@]1([C@@H]2[C@@H]([C@H](C)[C@H](C2)O)[C@@H]3[C@](CO)(C)[C@@H]3CC1)C
Metabolite of Species Details
Dichomitus squalens (NCBI:txid114155) See: DOI
ChEBI Ontology
Outgoing 3beta,13-dihydroxyledol (CHEBI:203997) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1S,1aR,4R,4aS,6S,7S,7aR,7bS)-1-(hydroxymethyl)-1,4,7-trimethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,6-diol
Manual Xref Database
78440976 ChemSpider
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