input word = C00026038

Metabolite InformationStructural formula
Name Staphirine
Formula C42H56N2O2
Mw 620.43417905
CAS RN 59588-14-6
C_ID C00026038 ,
InChIKey XUJCOYOQYZBUOM-UHFFFAOYNA-N
InChICode InChI=1S/C42H56N2O2/c1-36-18-23(20-43(3)22-36)14-25-26(36)6-10-38-19-30-28(17-27(25)38)41(30)13-12-40(46-34(38)41)21-39-11-7-31-37(2)8-5-9-42(31)32(39)16-24(40)15-29(39)33(42)44(4)35(37)45/h17,23-24,28-34H,5-16,18-22H2,1-4H3/t23-,24+,28-,29-,30+,31+,32-,33+,34-,36+,37+,38-,39-,40+,41-,42-/m0/s1
SMILES [C@H]12C[C@@H]3[C@@]4([C@H](C2)[C@]25CCC[C@@](C(=O)N([C@H]35)C)([C@H]2CC4)C)C[C@@]21CC[C@@]13[C@H]4C=C5C6=C([C@]7(CN(C[C@@H](C6)C7)C)C)CC[C@]5([C@@H]1O2)C[C@@H]34
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium staphisagria Ref.
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