input word = C00054999

Metabolite InformationStructural formula
Name Coriandrinonediol
Formula C30H50O3
Mw 458.37599546
CAS RN 87018-23-3
C_ID C00054999
InChIKey GGVUQGXIFKUXHY-UHFFFAOYSA-N
InChICode InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3
SMILES CC1(C)CCC(=O)C2(C)C1CCC1(C)C2C(O)CC2C3(C)CCC(O)C(C)(C)C3CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeCoriandrum sativum Ref.
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