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CHEBI:223270 - Tintinnadiol

ChEBI IDCHEBI:223270
ChEBI NameTintinnadiol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILESCOc1cc2c(cc1C)[C@@H]1C[C@@H](O)[C@@H](C(C)(C)O)[C@]1(C)CC[C@H]2C
InChIInChI=1S/C21H32O3/c1-12-7-8-21(5)16(11-17(22)19(21)20(3,4)23)15-9-13(2)18(24-6)10-14(12)15/h9-10,12,16-17,19,22-23H,7-8,11H2,1-6H3/t12-,16+,17-,19+,21-/m1/s1
InChIKeyFZENUYZVBHVPLY-GJQAKPAJSA-N
Species of MetaboliteComponentSourceComments
Mycena tintinnabulum (ncbitaxon:230813) - DOI (10.1016/s0031-9422(98)00258-1)
ChEBI Ontology
Outgoing Relation(s)
Tintinnadiol (CHEBI:223270) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R,3S,3aR,6R,10bR)-3-(2-hydroxypropan-2-yl)-8-methoxy-3a,6,9-trimethyl-2,3,4,5,6,10b-hexahydro-1H-benzo[e]azulen-2-ol
Manual XrefsDatabases
8981810ChemSpider