input word = C00054681

Metabolite InformationStructural formula
Name 9,19-Cyclocholesta-7,20-diene-3,14,26-triol
Formula C27H42O3
Mw 414.31339521
CAS RN 142942-85-6
C_ID C00054681
InChIKey LHQZNTIWWWUEJH-UHFFFAOYSA-N
InChICode InChI=1S/C27H42O3/c1-18(16-28)5-4-6-19(2)22-10-12-27(30)23-8-7-20-15-21(29)9-11-25(20)17-26(23,25)14-13-24(22,27)3/h8,18,20-22,28-30H,2,4-7,9-17H2,1,3H3
SMILES C=C(CCCC(C)CO)C1CCC2(O)C3=CCC4CC(O)CCC45CC35CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeSetaria italica Ref.
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