CHEBI:80168 - 1',2'-Dihydrochlorobactene

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ChEBI Name 1',2'-Dihydrochlorobactene
ChEBI ID CHEBI:80168
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H54
Net Charge 0
Average Mass 534.85680
Monoisotopic Mass 534.42255
InChI InChI=1S/C40H54/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-16,18-19,21-31H,13,17,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+
InChIKey QEIVSWXZEWDIPZ-IQAIWTHGSA-N
SMILES CC(C)CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
ChEBI Ontology
Outgoing 1',2'-Dihydrochlorobactene (CHEBI:80168) is a triterpenoid (CHEBI:36615)
Manual Xrefs Databases
C00022820 KNApSAcK
C15910 KEGG COMPOUND
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