7alpha-Hydroxybotryenalol (CHEBI:207049)

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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	7alpha-Hydroxybotryenalol

ChEBI ID	CHEBI:207049

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H26O5

Net Charge

Average Mass

310.390

Monoisotopic Mass

310.17802

InChI

InChI=1S/C17H26O5/c1-9-6-12(22-10(2)20)14-13(11(9)7-18)17(5,8-19)15(21)16(14,3)4/h7,9,12,14-15,19,21H,6,8H2,1-5H3/t9-,12+,14-,15-,17-/m1/s1

InChIKey

LCAFIAWKWPMFHH-RTNSRKOKSA-N

SMILES

O=C(O[C@@H]1[C@@H]2C(=C(C=O)[C@@H](C1)C)[C@](CO)(C)[C@@H](C2(C)C)O)C

Metabolite of Species	Details
Daldinia concentrica (NCBI:txid42361)	See: PubMed

ChEBI Ontology
Outgoing	7alpha-Hydroxybotryenalol (CHEBI:207049) is a organic hydroxy compound (CHEBI:33822)

IUPAC Name

[(1S,2R,3aR,4S,6R)-7-ormyl-2-hydroxy-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate