input word = C00036119

Metabolite InformationStructural formula
Name Gramisterol
Formula C29H48O
Mw 412.37051615
CAS RN 117652-9
C_ID C00036119 ,
InChIKey RSMKYRDCCSNYFM-WHMAMHFNNA-N
InChICode InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,26+,27+,28-,29+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCorylus avellana Ref.
PlantaeBetulaceaeCorylus maxima Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeHydrangeaceaePileostegia viburnoides var. glabrescens Ref.
PlantaeRanunculaceaeNigella sativa Ref.
--Crotone hieronymi Ref.
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