input word = C00041684

Metabolite InformationStructural formula
Name Mycothiazole-4,19-diol
(-)-Mycothiazole-4,19-diol
Formula C22H34N2O5S
Mw 438.21884294
CAS RN 876656-97-2
C_ID C00041684 ,
InChIKey RLXUGGXKLZEBBM-YAAOEXPNNA-N
InChICode InChI=1S/C22H34N2O5S/c1-5-6-7-8-10-17-15-30-19(24-17)21(2,3)18(26)11-9-12-22(28,16-25)13-14-23-20(27)29-4/h5,7-9,12,15,18,25-26,28H,1,6,10-11,13-14,16H2,2-4H3,(H,23,27)/b8-7-,12-9+/t18-,22+/m1/s1
SMILES COC(=O)NCC[C@@](/C=C/C[C@H](C(c1nc(C/C=C\CC=C)cs1)(C)C)O)(CO)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
--Cacospongia mycofijiensis Ref.
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OrganismCacospongia mycofijiensis
ReferenceSonnenschein,J.Nat.Prod.,69,(2006),145