CHEBI:141126 - polymatin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name polymatin B
ChEBI ID CHEBI:141126
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C23H28O8
Net Charge 0
Average Mass 432.465
Monoisotopic Mass 432.17842
InChI InChI=1S/C23H28O8/c1-7-13(3)21(25)31-20-18-14(4)22(26)30-17(18)11-12(2)9-8-10-16(23(27)28-6)19(20)29-15(5)24/h7,10-11,17-20H,4,8-9H2,1-3,5-6H3/b12-11-,13-7-,16-10+/t17-,18-,19-,20-/m1/s1
InChIKey UHWAWGCDKJMSNN-AGJVBZRYSA-N
SMILES C=1(CCC=C([C@H]([C@@H]([C@]2([C@@](C1)(OC(C2=C)=O)[H])[H])OC(/C(/C)=C\C)=O)OC(=O)C)C(OC)=O)C
ChEBI Ontology
Outgoing polymatin B (CHEBI:141126) is a sesquiterpene lactone (CHEBI:37667)
Manual Xref Database
C00011831 KNApSAcK
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Last Modified
21 June 2018