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 C1C[C@@]2([C@@H]3[C@@]4(C1)[C@H]1[C@@]5(CC3)C[C@]3([C@@H](C1)C[C@@H]5[C@H]4N(C2)C)CC[C@@]12[C@@H](O3)[C@]34C(=C[C@@H]1[C@@H]2C4)C1=C(CC3)[C@]2(C[C@@H](C1)CN(C2)C)C)C
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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