CHEBI:29538 - Avermectin B1b aglycone

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ChEBI Name Avermectin B1b aglycone
ChEBI ID CHEBI:29538
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C33H46O8
Net Charge 0
Average Mass 570.715
Monoisotopic Mass 570.31927
InChI InChI=1S/C33H46O8/c1-18(2)29-21(5)12-13-32(41-29)16-25-15-24(40-32)11-10-20(4)27(34)19(3)8-7-9-23-17-38-30-28(35)22(6)14-26(31(36)39-25)33(23,30)37/h7-10,12-14,18-19,21,24-30,34-35,37H,11,15-17H2,1-6H3/b8-7+,20-10+,23-9+/t19-,21-,24+,25-,26-,27-,28+,29+,30+,32+,33+/m0/s1
InChIKey IVLVHFFFOVKPKM-XMGCMGKSSA-N
SMILES CC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C
ChEBI Ontology
Outgoing Avermectin B1b aglycone (CHEBI:29538) is a pyrans (CHEBI:26407)
Synonym Source
Avermectin B1b aglycone KEGG COMPOUND
Manual Xref Database
C11963 KEGG COMPOUND
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Last Modified
28 July 2014