CHEBI:197564 - 3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane

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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 3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane
ChEBI ID CHEBI:197564
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.487
Monoisotopic Mass 354.24062
InChI InChI=1S/C20H34O5/c1-17(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h12-16,21-25H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKey SOPHJADXFALVLH-YLNIWBQCSA-N
SMILES O[C@]1([C@H]2C[C@@]3([C@@]4([C@H]([C@@]([C@H](O)CC4)(CO)C)[C@@H](C[C@H]3C2)O)C)CC1)CO
Metabolite of Species Details
Akanthomyces muscarius (NCBI:txid2231603) See: DOI
ChEBI Ontology
Outgoing 3alpha,6beta,16beta,17,18-pentahydroxyaphidicolane (CHEBI:197564) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6R,7R,8R,10R,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,8,13-triol
Manual Xref Database
4572676 ChemSpider
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