input word = C00017974

Metabolite InformationStructural formula
Name Ascofuranol
Formula C23H31ClO5
Mw 422.18600181
CAS RN 51759-79-6
C_ID C00017974 ,
InChIKey YHXSUSPTGLHIRR-IOVJAHBRNA-N
InChICode InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-,19-/m0/s1
SMILES c1(c(c(c(c(c1O)Cl)C)C=O)O)C/C=C(/CC/C=C(/[C@H]1OC([C@H](C1)O)(C)C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium sp. Ref.
FungiIncertae sedisAscochyta viciae No. 34 Ref.
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