input word = C00015904

Metabolite InformationStructural formula
Name Clavariopsin B
Formula C58H93N9O14
Mw 1139.68419875
CAS RN 227083-48-9
C_ID C00015904 ,
InChIKey KPXBYWFZMMXFTN-YSUYVPPQNA-N
InChICode InChI=1S/C58H93N9O14/c1-18-35(11)47-52(73)59-30-42(68)64(14)46(33(7)8)53(74)60-39(28-37-23-25-38(80-17)26-24-37)58(79)81-49(34(9)10)57(78)67-27-21-20-22-40(67)50(71)61-44(31(3)4)51(72)62-45(32(5)6)55(76)63(13)41(29-43(69)70)54(75)66(16)48(36(12)19-2)56(77)65(47)15/h23-26,31-36,39-41,44-49H,18-22,27-30H2,1-17H3,(H,59,73)(H,60,74)(H,61,71)(H,62,72)(H,69,70)/t35-,36-,39-,40-,41-,44-,45-,46-,47-,48-,49+/m0/s1
SMILES [C@H]1(N(C(=O)[C@@H](N(C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC1=O)C)C(C)C)Cc1ccc(cc1)OC)C(C)C)CCCC2)C(C)C)C(C)C)C)CC(=O)O)C)[C@H](CC)C)C)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Clavariopsis aquatica AJ117363 Ref.
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