input word = C00018635

Metabolite InformationStructural formula
Name Chaetiacandin
Formula C43H60O16
Mw 832.38813587
CAS RN 96989-32-1
C_ID C00018635 ,
InChIKey PIUMRJOLAWVICO-UHFFFAOYNA-N
InChICode InChI=1S/C43H60O16/c1-3-5-7-9-10-12-16-20-33(50)55-26-31(49)39-36(52)37(53)43(58-39)59-40-32(25-45)56-41(35-27(24-44)22-29(47)23-30(35)48)38(54)42(40)57-34(51)21-17-13-15-19-28(46)18-14-11-8-6-4-2/h8,10-18,20-23,28,31-32,36-49,52-54H,3-7,9,19,24-26H2,1-2H3/b11-8-,12-10-,15-13+,18-14+,20-16-,21-17-/t28-,31-,32+,36-,37+,38-,39-,40+,41-,42+,43+/m1/s1
SMILES C(=C\C=C/CCCCC)\C(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1CO)c1c(cc(cc1O)O)CO)O)OC(=O)/C=C\C=C\C[C@@H](/C=C/C=C\CCC)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaeMonochaetia dimorphospora Ref.
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OrganismMonochaetia dimorphospora
ReferenceKomori,J. Antibiotics,38,(1985),455