input word = C00032102

Metabolite InformationStructural formula
Name Oscillacyclin
Formula C47H66N10O14
Mw 994.47599689
CAS RN 264909-21-9
C_ID C00032102 ,
InChIKey BQQARIDWNCTETM-GSHDNJHNNA-N
InChICode InChI=1S/C47H66N10O14/c1-6-23(2)36-44(68)49-24(3)39(63)50-30(20-28-14-16-29(61)17-15-28)40(64)52-32(21-35(48)62)47(71)57-18-10-13-34(57)43(67)51-31(19-27-11-8-7-9-12-27)41(65)55-38(26(5)60)46(70)56-37(25(4)59)45(69)53-33(22-58)42(66)54-36/h7-9,11-12,14-17,23-26,30-34,36-38,58-61H,6,10,13,18-22H2,1-5H3,(H2,48,62)(H,49,68)(H,50,63)(H,51,67)(H,52,64)(H,53,69)(H,54,66)(H,55,65)(H,56,70)/t23-,24+,25-,26-,30+,31+,32+,33+,34+,36+,37+,38+/m1/s1
SMILES C1(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1[C@@H](CC)C)CO)[C@H](O)C)[C@@H](C)O)Cc1ccccc1)CCC2)CC(=O)N)Cc1ccc(cc1)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
--Oscillatoria agardhii 97 Ref.
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