input word = C00014561

Metabolite InformationStructural formula
Name (+)-Palodesagretin II
Palodesagretin II
Formula C31H28O8
Mw 528.17841787
CAS RN 209857-14-7
C_ID C00014561 ,
InChIKey IYZHGVMXBOTBPN-DKSYMXKINA-N
InChICode InChI=1S/C31H28O8/c1-14-10-19(17-6-5-16(32)13-23(17)37-2)26-20(11-14)28-27(25(26)15-4-8-21(33)22(34)12-15)18-7-9-24(35)39-30(18)29(36)31(28)38-3/h4-9,11-13,19-20,25-26,32-34,36H,10H2,1-3H3/t19-,20+,25+,26-/m0/s1
SMILES COc1cc(O)ccc1[C@@H]1CC(C)=C[C@H]2c3c(OC)c(O)c4oc(=O)ccc4c3C(c3ccc(O)c(O)c3)[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeBrosimum rubescens Ref.
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OrganismBrosimum rubescens
ReferenceShirota,Phytochem.,47,(1998),1381