input word = C00018331

Metabolite InformationStructural formula
Name Glysperin C
Formula C44H77N7O19
Mw 1007.52742333
CAS RN 78213-54-4
C_ID C00018331 ,
InChIKey RHNHFMNAFLYIKD-LXORFNNPNA-N
InChICode InChI=1S/C44H77N7O19/c1-21(46)39(61)51-29-31(56)28(47)22(2)63-41(29)68-36-26(19-53)66-42(33(58)32(36)57)70-38-30(55)25(18-52)65-44(35(38)60)69-37-27(20-54)67-43(34(37)59)64-24-10-8-23(9-11-24)40(62)50-17-7-16-49-15-6-5-14-48-13-4-3-12-45/h8-11,21-22,25-38,41-44,48-49,52-60H,3-7,12-20,45-47H2,1-2H3,(H,50,62)(H,51,61)/t21-,22-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38+,41-,42+,43+,44+/m1/s1
SMILES c1(ccc(cc1)C(=O)NCCCNCCCCNCCCCN)O[C@@H]1[C@@H]([C@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O[C@@H]2[C@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)[C@H](N)C)O)O)O)[C@H](CO)O1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus cereus No. F173-B61 Ref.
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