input word = C00037914

Metabolite InformationStructural formula
Name threo-Carolignan H
Formula C39H38O12
Mw 698.23632668
CAS RN 344944-05-4
C_ID C00037914 ,
InChIKey IWBDRHYLRFFEFZ-GQXSRARZNA-N
InChICode InChI=1S/C39H38O12/c1-46-33-21-27(8-15-30(33)41)11-19-38(44)50-24-36(39(45)28-12-16-31(42)34(23-28)47-2)51-32-17-9-26(22-35(32)48-3)5-4-20-49-37(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,36,39-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+/t36-,39+/m0/s1
SMILES c1([C@H]([C@H](COC(=O)/C=C/c2ccc(c(c2)OC)O)Oc2ccc(cc2OC)/C=C/COC(=O)/C=C/c2ccc(cc2)O)O)cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus cannabinus Ref.
zoom in