input word = C00036716

Metabolite InformationStructural formula
Name Ambuic acid
(+)-Ambuic acid
Formula C19H26O6
Mw 350.17293856
CAS RN 340774-69-8
C_ID C00036716 ,
InChIKey UDSQZJMGPSRCEM-HAOPVOSZNA-N
InChICode InChI=1S/C19H26O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h7-9,15,17,20-21H,3-6,10-11H2,1-2H3,(H,23,24)/b8-7+,12-9+/t15-,17-,19+/m1/s1
SMILES [C@H]12[C@](C(=O)C(=C([C@H]1O)CO)/C=C/CCCCC)(O2)C/C=C(/C(=O)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaeMonochaetia sp. Ref.
FungiAmphisphaeriaceaePestalotiopsis sp. Ref.
--Pestaloriopsis spp. Ref.
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