input word = C00003545

Metabolite InformationStructural formula
Name Propapyriogenin A2
Formula C30H44O5
Mw 484.31887452
CAS RN 72933-74-5
C_ID C00003545 ,
InChIKey LJMPUEBWSQXCRU-SNQVAUERNA-N
InChICode InChI=1S/C30H44O5/c1-25(2)15-18-17-14-19(31)23-27(5)10-9-21(32)26(3,4)20(27)8-11-29(23,7)28(17,6)12-13-30(18,24(34)35)16-22(25)33/h14,18-20,23,31H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,19-,20-,23+,27-,28+,29+,30+/m0/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=C[C@@H]1O)[C@H]1[C@@](CC2)(CC(=O)C(C1)(C)C)C(=O)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeBupleurum rotundifolium Ref.
PlantaeAraliaceaeTetrapanax papyriferum Ref.
PlantaeAraliaceaeTetrapanax papyriferus Ref.
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OrganismTetrapanax papyriferus
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)