CHEBI:212399 - Isoagathenediol

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 Isoagathenediol
ChEBI ID CHEBI:212399
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O2
Net Charge 0
Average Mass 308.506
Monoisotopic Mass 308.27153
InChI InChI=1S/C20H36O2/c1-17(2)9-6-10-18(3)14(17)7-11-19(4)15(18)8-12-20(5,22)16(19)13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15+,16-,18-,19+,20-/m0/s1
InChIKey HSSHRMRFCHARFX-AEVHBADWSA-N
SMILES O[C@@]1([C@H]([C@]2([C@@H]([C@@]3([C@H](C(CCC3)(C)C)CC2)C)CC1)C)CO)C
Metabolite of Species Details
Rhodospirillum rubrum (NCBI:txid1085) See: DOI
ChEBI Ontology
Outgoing Isoagathenediol (CHEBI:212399) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,4aR,4bS,8aS,10aR)-1-(hydroxymethyl)-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ol