10-epi-dihydrobotrydial (CHEBI:206780)

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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	10-epi-dihydrobotrydial

ChEBI ID	CHEBI:206780

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H28O5

Net Charge

Average Mass

312.406

Monoisotopic Mass

312.19367

InChI

InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14-,16-,17-/m1/s1

InChIKey

QUGYVDURDBEQRB-VZJVBFQISA-N

SMILES

O=C(O[C@@H]1[C@@H]2[C@@]3(O)[C@](CO[C@H]([C@H]3[C@@H](C1)C)O)(C)CC2(C)C)C

Metabolite of Species	Details
Botrytis cinerea (NCBI:txid40559)	See: DOI

ChEBI Ontology
Outgoing	10-epi-dihydrobotrydial (CHEBI:206780) is a oxanes (CHEBI:46942)

IUPAC Name

[(1R,4R,7R,8S,9R,11S,12S)-7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate