input word = C00043417

Metabolite InformationStructural formula
Name Cryptocandin
Formula C51H82N8O17
Mw 1078.57979325
CAS RN 248250-94-4
C_ID C00043417 ,
InChIKey GYMNBBQUGVYSCX-UHFFFAOYNA-N
InChICode InChI=1S/C51H82N8O17/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-38(66)53-34-24-36(64)47(72)57-49(74)41-42(67)30(27-60)25-59(41)50(75)33(21-22-37(52)65)54-48(73)40(44(69)43(68)29-17-19-31(62)20-18-29)56-46(71)35-23-32(63)26-58(35)51(76)39(28(2)61)55-45(34)70/h17-20,28,30,32-36,39-44,47,60-64,67-69,72H,3-16,21-27H2,1-2H3,(H2,52,65)(H,53,66)(H,54,73)(H,55,70)(H,56,71)(H,57,74)/t28-,30+,32+,33+,34+,35-,36+,39+,40-,41+,42-,43+,44+,47+/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(CO)CN2C(=O)C(CCC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
FungiDermateaceaeCryptosporiopsis cf. quercina Ref.
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