input word = C00031413

Metabolite InformationStructural formula
Name threo-Carolignan E
Formula C40H42O13
Mw 730.26254143
CAS RN 344944-09-8
C_ID C00031413 ,
InChIKey CXFBVHGWTGTGBR-AYDISBJLNA-N
InChICode InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+/t37-,40+/m0/s1
SMILES COc1cc(/C=C/C(=O)OCCCc2ccc(O[C@@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeDurio zibethinus Ref.
PlantaeMalvaceaeHibiscus taiwanensis Ref.
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