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CHEBI:228012 - Rel-(6aS,10aR)-delta9-tetrahydrocannabiorcolic acid B

ChEBI IDCHEBI:228012
ChEBI NameRel-(6aS,10aR)-delta9-tetrahydrocannabiorcolic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O4
Net Charge0
Average Mass302.370
Monoisotopic Mass302.15181
SMILESCC1=C[C@H]2c3c(O)cc(C)c(C(=O)O)c3OC(C)(C)[C@H]2CC1
InChIInChI=1S/C18H22O4/c1-9-5-6-12-11(7-9)15-13(19)8-10(2)14(17(20)21)16(15)22-18(12,3)4/h7-8,11-12,19H,5-6H2,1-4H3,(H,20,21)/t11-,12+/m1/s1
InChIKeyFUIFGAFTCQIBQJ-NEPJUHHUSA-N
Species of MetaboliteComponentSourceComments
Pseudocosmospora (ncbitaxon:1406987) - DOI (10.1016/j.phytol.2019.03.014)
ChEBI Ontology
Outgoing Relation(s)
Rel-(6aS,10aR)-delta9-tetrahydrocannabiorcolic acid B (CHEBI:228012) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(6aS,10aR)-1-hydroxy-3,6,6,9-tetramethyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-4-carboxylic acid