input word = C00001668

Metabolite InformationStructural formula
Name Staphidine
Formula C42H58N2O
Mw 606.45491449
CAS RN 59588-15-7
C_ID C00001668 ,
InChIKey MIQIFBIWUBAPTB-LNCVPYFXNA-N
InChICode InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3/t24-,25-,29?,30-,31+,32-,33-,34-,35+,36+,37?,38-,39+,40+,41-,42?/m1/s1
SMILES CN1C[C@@H]2CC3=C(CC[C@@]45CC6[C@@H](C=C34)[C@]63CC[C@@]4(C[C@]67CC[C@@H]8[C@@]9(C)CCC[C@]8%10C(C6C[C@H]4C[C@H]7%10)N(C)C9)O[C@@H]53)[C@@](C)(C2)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium staphisagria Ref.
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