input word = C00020247

Metabolite InformationStructural formula
Name 3,14E-Implexin
Formula C31H44O8
Mw 544.30361838
CAS RN 79383-69-0
C_ID C00020247 ,
InChIKey YBXRHCLFEHVDJU-KRWCKBEKNA-N
InChICode InChI=1S/C31H44O8/c1-10-16(5)14-21(32)37-28-24(31(9)15-36-31)23-20(13-4)25(33)27(39-30(35)18(7)12-3)22(23)19(8)26(28)38-29(34)17(6)11-2/h13-14,17-18,22-24,26-28H,8,10-12,15H2,1-7,9H3/b16-14-,20-13?/t17-,18-,22+,23-,24+,26+,27+,28-,31+/m0/s1
SMILES [C@@H]1([C@H]([C@@H]([C@@H]2[C@@H](C1=C)[C@H](C(=O)/C/2=C\C)OC(=O)[C@H](CC)C)[C@@]1(OC1)C)OC(=O)/C=C(/C)\CC)OC(=O)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio implexus Ref.
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OrganismSenecio implexus
ReferenceBohomann,Phytochem.,20,(1981),251