input word = C00031593

Metabolite InformationStructural formula
Name Anabaenopeptilide 202-A
Formula C51H71N9O15
Mw 1049.50696267
CAS RN 173429-63-5
C_ID C00031593 ,
InChIKey FRXVCWUFERYYRS-UHFFFAOYNA-N
InChICode InChI=1S/C51H71N9O15/c1-7-27(2)41-51(73)75-29(4)42(57-45(67)35(20-22-39(52)64)53-46(68)37-9-8-24-59(37)26-61)48(70)54-34(19-14-30-10-15-32(63)16-11-30)44(66)55-36-21-23-40(65)60(49(36)71)43(28(3)62)50(72)58(5)38(47(69)56-41)25-31-12-17-33(74-6)18-13-31/h10-13,15-18,26-29,34-38,40-43,62-63,65H,7-9,14,19-25H2,1-6H3,(H2,52,64)(H,53,68)(H,54,70)(H,55,66)(H,56,69)(H,57,67)/t27-,28+,29+,34+,35+,36-,37-,38-,40-,41-,42+,43+/m0/s1
SMILES C1(=O)N2[C@H](CC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]2[C@H](O)C)C)Cc1ccc(cc1)OC)[C@@H](C)CC)C)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H]1N(CCC1)C=O)CCc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena sp. 202A2/41 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 90 Ref.
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OrganismAnabaena sp. 90
ReferenceHarada,Chem.Pharm.Bull.,52,(2004),889