input word = C00047082

Metabolite InformationStructural formula
Name Pregnenolone
Formula C21H32O2
Mw 316.24023027
CAS RN 145-13-1
C_ID C00047082 ,
InChIKey ORNBQBCIOKFOEO-VUCNLTLINA-N
InChICode InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21-/m0/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@@](C1)([C@H](CC3)C(=O)C)C)CC=C1[C@@]2(CC[C@@H](C1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum sibiricum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeRutaceaeZanthoxylum integrifoliolum Ref.
--Botrytis cinerea Ref.
--Conioselium vaginatum Ref.
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