input word = C00057048

Metabolite InformationStructural formula
Name Passiflorine
Formula C37H60O12
Mw 696.40847738
CAS RN 1392-82-1
C_ID C00057048
InChIKey KKUOJZVNLJCTPF-UHFFFAOYSA-N
InChICode InChI=1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3
SMILES CC(C(C1O)(O)CC(O1)C(C2CCC3(C4CCC5C(C(O)CC(O)C56CC46CCC23C)(C(OC7C(O)C(O)C(O)C(O7)CO)=O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePassifloraceaePassiflora edulis Ref.
zoom in