input word = C00031596

Metabolite InformationStructural formula
Name Anabaenopeptilide 90-B
Formula C45H61ClN8O14
Mw 972.39957643
CAS RN 173450-68-5
C_ID C00031596 ,
InChIKey HVJQTJPQRUVUKC-UHFFFAOYNA-N
InChICode InChI=1S/C45H61ClN8O14/c1-6-22(2)36-45(67)68-24(4)37(52-39(61)29(48-21-55)14-17-34(47)59)42(64)49-30(13-9-25-7-11-27(57)12-8-25)40(62)50-31-15-18-35(60)54(43(31)65)38(23(3)56)44(66)53(5)32(41(63)51-36)20-26-10-16-33(58)28(46)19-26/h7-8,10-12,16,19,21-24,29-32,35-38,56-58,60H,6,9,13-15,17-18,20H2,1-5H3,(H2,47,59)(H,48,55)(H,49,64)(H,50,62)(H,51,63)(H,52,61)/t22-,23-,24-,29+,30+,31-,32-,35-,36+,37+,38-/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)Cc1cc(c(cc1)O)Cl)[C@@H](C)CC)C)NC(=O)[C@@H](CCC(=O)N)NC=O)CCc1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAnabaena sp. 202A2/41 Ref.
PlantaeEuphorbiaceaeAnabaena sp. 90 Ref.
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