input word = C00043427

Metabolite InformationStructural formula
Name Cyclonellin
Formula C45H62N12O12
Mw 962.46101553
CAS RN 659720-19-1
C_ID C00043427 ,
InChIKey QJCLMDOTVMDUCX-YATGGSCYNA-N
InChICode InChI=1S/C45H62N12O12/c1-23-37(62)53-32(22-35(46)61)44(69)57-19-4-7-33(57)40(65)51-29(6-3-17-49-45(47)48)38(63)54-31(21-26-11-15-28(60)16-12-26)43(68)56-18-5-8-34(56)41(66)52-30(20-25-9-13-27(59)14-10-25)39(64)55-36(24(2)58)42(67)50-23/h9-16,23-24,29-34,36,58-60H,3-8,17-22H2,1-2H3,(H2,46,61)(H,50,67)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H4,47,48,49)/t23-,24+,29-,30-,31-,32-,33-,34-,36-/m0/s1
SMILES N12[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccc(cc1)O)CCCNC(=N)N)CCC3)CC(=O)N)C)[C@@H](C)O)Cc1ccc(cc1)O)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella carteri Ref.
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