CHEBI:182955 - ZINC100151344

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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 ZINC100151344
ChEBI ID CHEBI:182955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
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Formula C20H34O4
Net Charge 0
Average Mass 338.488
Monoisotopic Mass 338.24571
InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20-/m0/s1
InChIKey NOFOAYPPHIUXJR-UXXFXACISA-N
SMILES O[C@]1([C@@]2(C[C@@]3([C@@]4([C@]([C@@]([C@H](O)CC4)(CO)C)(CC[C@]3(C2)[H])[H])C)CC1)[H])CO
ChEBI Ontology
Outgoing ZINC100151344 (CHEBI:182955) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6R,7R,10S,12S,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
Manual Xrefs Databases
389740 ChemSpider
C06088 KEGG COMPOUND
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