input word = C00031594

Metabolite InformationStructural formula
Name Anabaenopeptilide 202-B
Formula C50H68ClN9O15
Mw 1069.45234028
CAS RN 173450-69-6
C_ID C00031594 ,
InChIKey BHWMXGSIUOZDBI-UHFFFAOYNA-N
InChICode InChI=1S/C50H68ClN9O15/c1-6-25(2)40-50(74)75-27(4)41(57-44(68)33(16-19-38(52)65)53-45(69)35-8-7-21-59(35)24-61)47(71)54-32(15-11-28-9-13-30(63)14-10-28)43(67)55-34-17-20-39(66)60(48(34)72)42(26(3)62)49(73)58(5)36(46(70)56-40)23-29-12-18-37(64)31(51)22-29/h9-10,12-14,18,22,24-27,32-36,39-42,62-64,66H,6-8,11,15-17,19-21,23H2,1-5H3,(H2,52,65)(H,53,69)(H,54,71)(H,55,67)(H,56,70)(H,57,68)/t25-,26+,27-,32-,33-,34+,35+,36+,39+,40-,41+,42+/m1/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)Cc1cc(c(cc1)O)Cl)[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-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena sp. 202A2/41 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 90 Ref.
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