CHEBI:210414 - Secobotrydiene-3,10,15-triol

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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 Secobotrydiene-3,10,15-triol
ChEBI ID CHEBI:210414
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/c1-5-11(8-17)13-12(6-7-16)14(2,3)9-15(13,4)10-18/h5,16-18H,6-10H2,1-4H3/b11-5-/t15-/m1/s1
InChIKey GYABYKLKVQPSPD-NVWZYQMFSA-N
SMILES OC/C(/C1=C(C(C)(C)C[C@@]1(CO)C)CCO)=C/C
Metabolite of Species Details
Botrytis cinerea (NCBI:txid40559) See: DOI
ChEBI Ontology
Outgoing Secobotrydiene-3,10,15-triol (CHEBI:210414) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(E)-2-[(5S)-2-(2-hydroxyethyl)-5-(hydroxymethyl)-3,3,5-trimethylcyclopenten-1-yl]but-2-en-1-ol
Manual Xref Database
78440244 ChemSpider
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