input word = C00035377

Metabolite InformationStructural formula
Name Puberanine
Formula C32H44N2O9
Mw 600.30468102
CAS RN 83685-20-5
C_ID C00035377 ,
InChIKey XTSVKUJYTUPYRJ-FUQPHDHNNA-N
InChICode InChI=1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21+,22+,23-,24-,25+,27-,28-,29-,30+,31-,32+/m1/s1
SMILES C(N1[C@@H]2[C@@]3(C[C@H]4[C@]2([C@@H]2C[C@@H]5[C@H](C[C@]3([C@]2([C@H]5OC)O)O)OC)[C@@H](CC[C@]4(C1)OC(=O)c1c(cccc1)NC(=O)C)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum barbatum var.puberulum Ref.
PlantaeRanunculaceaeAconitum laeve Ref.
PlantaeRanunculaceaeAconitum puberulum Ref.
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OrganismAconitum barbatum var.puberulum
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

1997, Vol10

1998, Vol11.

Shaheen, et al., Phytochemistry, 66, (2005), 935