input word = C00011877

Metabolite InformationStructural formula
Name Eupassofilin
Formula C38H60O9
Mw 660.42373351
CAS RN 57718-79-3
C_ID C00011877 ,
InChIKey MVHKLUNQRGAKNA-ZFODZMLANA-N
InChICode InChI=1S/C38H60O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30(40)25-32(41)44-23-21-28(3)36(42)45-31-24-27(2)19-18-22-38(26-39)35(47-38)34-33(31)29(4)37(43)46-34/h19,21,30-31,33-35,39-40H,4-18,20,22-26H2,1-3H3/b27-19+,28-21+/t30-,31-,33-,34+,35+,38+/m1/s1
SMILES C1C[C@@]2([C@H]([C@@H]3[C@@H]([C@@H](C/C(=C/1)/C)OC(=O)/C(=C/COC(=O)C[C@H](O)CCCCCCCCCCCCCCC)/C)C(=C)C(=O)O3)O2)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium hyssopifolium Ref.
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OrganismEupatorium hyssopifolium
ReferenceHerz,J. Org. Chem.,41,(1976),1015