input word = C00018754

Metabolite InformationStructural formula
Name Ascochlorin
LL-Z1272gamma
2,4-Dihydroxy-3-substituted-5-chloroorcylaldehyde
Formula C23H29ClO4
Mw 404.17543712
CAS RN 26166-39-2
C_ID C00018754 ,
InChIKey SETVRSKZJJWOPA-GEPDRDRFNA-N
InChICode InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
SMILES C1(=O)CC[C@H]([C@@]([C@H]1C)(/C=C/C(=C/Cc1c(c(c(c(c1O)Cl)C)C=O)O)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium lazulae Ref.
FungiHypocreaceaeAcremonium luzulae Ref.
FungiHypocreaceaeAcremonium sp. Ref.
FungiHypocreaceaeNectria coccinea Ref.
FungiHypocreaceaeNectria lucida Ref.
FungiIncertae sedisAscochyta viciae Ref.
FungiNectriaceaeFusarium sp. Ref.
--Cylindrocladium iliciola Ref.
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