input word = C00044266

Metabolite InformationStructural formula
Name Neosartorin
(-)-Neosartorin
Formula C34H32O15
Mw 680.17412036
CAS RN 212709-11-0
C_ID C00044266 ,
InChIKey YUNGLUVSQVBKQB-GKTSNXJANA-N
InChICode InChI=1S/C34H32O15/c1-12-11-19-23(28(42)24-17(37)8-9-20(39)33(24,48-19)31(43)45-4)26(40)21(12)15-6-7-16(36)22-27(41)25-18(38)10-13(2)30(47-14(3)35)34(25,32(44)46-5)49-29(15)22/h6-7,11,13,20,30,36-40H,8-10H2,1-5H3/t13-,20-,30-,33-,34+/m0/s1
SMILES [C@@H]1(CC(=C2[C@]([C@H]1OC(=O)C)(Oc1c(C2=O)c(ccc1c1c(cc2c(c1O)C(=O)C1=C(CC[C@@H]([C@@]1(O2)C(=O)OC)O)O)C)O)C(=O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeNeosartorya fischeri Ref.
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