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CHEBI:227634 - (+/-)-cochlearol S

ChEBI IDCHEBI:227634
ChEBI Name(+/-)-cochlearol S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILESCC(C)=CCC[C@]1(C)Oc2ccc(O)cc2[C@H]2C=C(CO)CC[C@H]21
InChIInChI=1S/C21H28O3/c1-14(2)5-4-10-21(3)19-8-6-15(13-22)11-17(19)18-12-16(23)7-9-20(18)24-21/h5,7,9,11-12,17,19,22-23H,4,6,8,10,13H2,1-3H3/t17-,19-,21+/m1/s1
InChIKeyUJTDASRXAPQCNE-QFUCXCTJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (30947089)
ChEBI Ontology
Outgoing Relation(s)
(+/-)-cochlearol S (CHEBI:227634) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6S,6aR,10aS)-9-(hydroxymethyl)-6-methyl-6-(4-methylpent-3-enyl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol