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CHEBI:175843 - Isocycloheterophyllin

ChEBI IDCHEBI:175843
ChEBI NameIsocycloheterophyllin
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FormulaC30H30O7
Net Charge0
Average Mass502.563
Monoisotopic Mass502.19915
SMILESCC(C)=CCc1c2c(c3oc4c(c(=O)c3c1O)CC(=C(C)C)Oc1cc(O)c(O)cc1-4)C=CC(C)(C)O2
InChIInChI=1S/C30H30O7/c1-14(2)7-8-16-25(33)24-26(34)19-12-22(15(3)4)35-23-13-21(32)20(31)11-18(23)27(19)36-29(24)17-9-10-30(5,6)37-28(16)17/h7,9-11,13,31-33H,8,12H2,1-6H3
InChIKeyPNKNNRLOQYRSCW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isocycloheterophyllin (CHEBI:175843) is a chromenes (CHEBI:23232)
IUPAC Name 
11,20,21-trihydroxy-7,7-dimethyl-10-(3-methylbut-2-enyl)-16-propan-2-ylidene-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3,5,9,11,18,20,22-octaen-13-one
Manual XrefsDatabases
30776774ChemSpider
HMDB0029471HMDB