input word = C00011831

Metabolite InformationStructural formula
Name Polymatin B
Formula C23H28O8
Mw 432.17841787
CAS RN 72023-37-1
C_ID C00011831 ,
InChIKey UHWAWGCDKJMSNN-KQTUVUTDNA-N
InChICode 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-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=CC)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePolymnia maculata Ref.
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