CHEBI:199630 - 16beta,17-dihydroxyaphidicolan-18-oic acid

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ChEBI Name 16beta,17-dihydroxyaphidicolan-18-oic acid
ChEBI ID CHEBI:199630
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/c1-17(16(22)23)6-3-7-18(2)15(17)5-4-13-10-14-11-19(13,18)8-9-20(14,24)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,17+,18-,19-,20-/m0/s1
InChIKey TUXGKIQTTZXVJX-XKNDNFIYSA-N
SMILES O=C(O)[C@]1([C@H]2[C@@]([C@]34[C@H](C[C@H](C3)[C@@](CC4)(O)CO)CC2)(CCC1)C)C
Metabolite of Species Details
Akanthomyces muscarius (NCBI:txid2231603) See: DOI
ChEBI Ontology
Outgoing 16beta,17-dihydroxyaphidicolan-18-oic acid (CHEBI:199630) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,6R,7R,10S,12R,13R)-13-hydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6-carboxylic acid
Manual Xref Database
78436522 ChemSpider
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