input word = C00034652

Metabolite InformationStructural formula
Name R1-Barrigenol
Formula C30H50O6
Mw 506.36073933
CAS RN 15399-43-6
C_ID C00034652 ,
InChIKey DZVVEETZRZUXLI-IBLYIIOWNA-N
InChICode InChI=1S/C30H50O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,17-24,31-36H,9-15H2,1-7H3/t17-,18-,19+,20-,21-,22-,23-,24+,27-,28+,29-,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H]([C@@H]2O)O)([C@H]([C@@H](C(C1)(C)C)O)O)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
PlantaeSapindaceaeAesculus pavia L. Ref.
zoom in