CHEBI:188556 - dictyol J

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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 dictyol J
ChEBI ID CHEBI:188556
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H33ClO2
Net Charge 0
Average Mass 340.930
Monoisotopic Mass 340.21691
InChI InChI=1S/C20H33ClO2/c1-12-6-10-16(13(2)8-11-17(22)20(4,5)21)19(23)18-14(3)7-9-15(12)18/h7,13,15-19,22-23H,1,6,8-11H2,2-5H3/t13-,15+,16+,17+,18-,19-/m1/s1
InChIKey PEOMURHAYCFSHU-OPIBAUODSA-N
SMILES ClC([C@@H](O)CC[C@H]([C@]1([C@@H](O)[C@]2([C@@](CC=C2C)(C(CC1)=C)[H])[H])[H])C)(C)C
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing dictyol J (CHEBI:188556) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aS,4R,5S,8aR)-5-[(2R,5S)-6-chloro-5-hydroxy-6-methylheptan-2-yl]-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
Manual Xref Database
10481530 ChemSpider
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