input word = C00040291

Metabolite InformationStructural formula
Name Shimofuridin A
Formula C34H44N4O12
Mw 700.2955729
CAS RN 152273-80-8
C_ID C00040291 ,
InChIKey KZAQVIOGOYWYER-BRGQYVBJNA-N
InChICode InChI=1S/C34H44N4O12/c1-4-5-6-8-12-15-23(40)46-20(2)14-11-9-7-10-13-16-24(41)49-29-21(3)47-34(28(44)27(29)43)50-30-26(42)22(17-39)48-33(30)38-19-37-25-31(38)35-18-36-32(25)45/h6-8,10-16,18-22,26-30,33-34,39,42-44H,4-5,9,17H2,1-3H3,(H,35,36,45)/b8-6+,10-7+,14-11+,15-12+,16-13+/t20-,21-,22-,26+,27-,28-,29-,30+,33-,34-/m0/s1
SMILES n1c[nH]c2c(c1=O)ncn2[C@@H]1[C@@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)/C=C/C=C/C/C=C/[C@@H](OC(=O)/C=C/C=C/CCC)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeAplidium multiplicatum Ref.
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OrganismAplidium multiplicatum
ReferenceNakao,J.Nat.Prod.,70,(2007),689