input word = C00032093

Metabolite InformationStructural formula
Name Opercurin B
(+)-Opercurin B
Formula C38H56O13
Mw 720.37209188
CAS RN 352359-56-9
C_ID C00032093 ,
InChIKey CCXHTWIKFXDCCF-UEASRXIFNA-N
InChICode InChI=1S/C38H56O13/c1-18(40)50-32(2,3)13-12-24(42)37(9,46)30-21(41)15-34(6)23-11-10-19-20(36(23,8)25(43)16-35(30,34)7)14-26-38(47,33(19,4)5)51-29-28(45)27(44)22(17-39)48-31(29)49-26/h10,12-13,20-23,26-31,39,41,44-47H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22-,23+,26+,27-,28+,29-,30+,31-,34+,35-,36+,37+,38-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@@H]2[C@H](O1)O[C@@H]1[C@@](O2)(C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C)(C)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa operculata Ref.
zoom in