input word =
C00024849
Metabolite Information
Structural formula
Name
Cardiopine
(-)-Cardiopine
Formula
C36H43NO9
Mw
633.29378198
CAS RN
174423-45-1
C_ID
C00024849 ,
InChIKey
BNZPSEZCTSCFIK-UHFFFAOYNA-N
InChICode
InChI=1S/C36H43NO9/c1-7-16(2)32(41)46-26-30(40)34(6)15-37-21-14-35-13-17(3)22-24(45-33(42)20-11-9-8-10-12-20)23(35)29(37)36(27(21)34,31(26)44-19(5)39)28(35)25(22)43-18(4)38/h8-12,16,21-31,40H,3,7,13-15H2,1-2,4-6H3/t16-,21-,22-,23+,24+,25-,26+,27+,28+,29+,30+,31+,34-,35-,36+/m1/s1
SMILES
[C@H]1([C@@H]([C@@]23[C@H]4[C@H]5C[C@@]67[C@@H]2[C@@H]([C@H](C(=C)C7)[C@@H]([C@H]6[C@@H]3N5C[C@@]4(C)[C@H]1O)OC(=O)c1ccccc1)OC(=O)C)OC(=O)C)OC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
L-Arg
L-Asp
Secologanin
IPP
Organism
Kingdom
Family
Species
Reference
Plantae
Ranunculaceae
Delphinium cardiopetalum
Ref.
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