CHEBI:198737 - 3-deoxyaphidicolin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 3-deoxyaphidicolin
ChEBI ID CHEBI:198737
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-17(12-21)6-3-7-18(2)16(17)5-4-14-10-15-11-19(14,18)8-9-20(15,23)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey VHWTVINEPPOCLA-DTMQFJJTSA-N
SMILES O[C@]1([C@H]2C[C@@]3([C@@]4([C@H]([C@@](CCC4)(CO)C)CC[C@H]3C2)C)CC1)CO
Metabolite of Species Details
Phoma (NCBI:txid37463) See: PubMed
ChEBI Ontology
Outgoing 3-deoxyaphidicolin (CHEBI:198737) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Manual Xref Database
64849571 ChemSpider
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