CHEBI:5617 - Haplodimerine

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ChEBI Name Haplodimerine
ChEBI ID CHEBI:5617
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H26N2O6
Net Charge 0
Average Mass 486.517
Monoisotopic Mass 486.17909
InChI InChI=1S/C28H26N2O6/c1-28(2)20-16(18-23(36-28)12-8-6-7-9-14(12)29-26(18)31)17-19-22(33-4)13-10-11-15(32-3)24(34-5)21(13)30-27(19)35-25(17)20/h6-11,16-17,20,25H,1-5H3,(H,29,31)/t16-,17+,20+,25-/m1/s1
InChIKey ZTSCGHFGGQONGE-XHFAZCCNSA-N
SMILES COc1ccc2c(OC)c3[C@H]4[C@@H](Oc3nc2c1OC)[C@@H]1[C@H]4c2c(OC1(C)C)c1ccccc1[nH]c2=O
ChEBI Ontology
Outgoing Haplodimerine (CHEBI:5617) is a organic heterotricyclic compound (CHEBI:26979)
Haplodimerine (CHEBI:5617) is a organonitrogen heterocyclic compound (CHEBI:38101)
Haplodimerine (CHEBI:5617) is a oxacycle (CHEBI:38104)
Synonym Source
Haplodimerine KEGG COMPOUND
Manual Xrefs Databases
C00002170 KNApSAcK
C10691 KEGG COMPOUND
View more database links
Registry Number Type Source
120931-43-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014