input word = C00022212

Metabolite InformationStructural formula
Name Corymbivillosol
Formula C43H68O6
Mw 680.5015899
CAS RN 113493-23-5
C_ID C00022212 ,
InChIKey ZKPYMRHDNIJTEO-WBRSRUENNA-N
InChICode InChI=1S/C43H68O6/c1-28(21-25-44)11-15-33-31(4)14-18-35-41(7,8)37(20-24-43(33,35)10)49-39(47)27-38(46)48-26-22-29(2)12-16-32-30(3)13-17-34-40(5,6)36(45)19-23-42(32,34)9/h13-14,21-22,32-37,44-45H,11-12,15-20,23-27H2,1-10H3/b28-21+,29-22+/t32-,33-,34-,35-,36+,37+,42-,43-/m1/s1
SMILES C1=C([C@H]([C@@]2([C@H](C1)C([C@H](CC2)OC(=O)CC(=O)OC/C=C(/CC[C@H]1[C@@]2([C@H](CC=C1C)C([C@H](CC2)O)(C)C)C)\C)(C)C)C)CC/C(=C/CO)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCorymbium villosum Ref.
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