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.
PlantaeApocynaceaeNerium odorum Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeRutaceaeDictamnus dasycarpus Ref.
PlantaeRutaceaeZanthoxylum integrifoliolum Ref.
--Botrytis cinerea Ref.
--Conioselium vaginatum Ref.
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OrganismConioselium vaginatum
ReferenceGawienowski, et al., Chem Abstr, 72, (1970), 75717j.

Song, et al., Gaodeng Xuexiao Huaxue Xuebao, 12, (1991), 1469.

Chen, et al., CTHD, 24, (1993), 512.

Takeuchi, et al., Chem Pharm Bull, 41, (1993), 923