input word = C00050059

Metabolite InformationStructural formula
Name Dichotomin F
(-)-Dichotomin F
Formula C56H75N9O12
Mw 1065.55351893
CAS RN 188655-39-2
C_ID C00050059 ,
InChIKey VPSULMLYPHIMSH-KOEQNKIQNA-N
InChICode InChI=1S/C56H75N9O12/c1-31(2)26-41-55(76)64-24-11-15-45(64)52(73)61-43(30-66)50(71)63-47(33(5)6)54(75)60-42(29-36-18-22-38(68)23-19-36)56(77)65-25-10-14-44(65)51(72)58-39(28-35-16-20-37(67)21-17-35)48(69)57-40(27-34-12-8-7-9-13-34)49(70)62-46(32(3)4)53(74)59-41/h7-9,12-13,16-23,31-33,39-47,66-68H,10-11,14-15,24-30H2,1-6H3,(H,57,69)(H,58,72)(H,59,74)(H,60,75)(H,61,73)(H,62,70)(H,63,71)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
SMILES N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H]1C(C)C)CC(C)C)CCC3)C(C)C)Cc1ccc(cc1)O)CCC2)Cc1ccc(cc1)O)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma var.lanceolata Ref.
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