input word = C00015948

Metabolite InformationStructural formula
Name TMC 69
Formula C26H31NO4
Mw 421.22530849
CAS RN 337529-09-6
C_ID C00015948 ,
InChIKey IXMWFEZJSGIEGP-YURXUJBENA-N
InChICode InChI=1S/C26H31NO4/c1-4-18(2)11-7-5-8-12-20-15-19(3)25(31-17-20)23-24(28)22(16-27(30)26(23)29)21-13-9-6-10-14-21/h5-14,16,18-19,25,28,30H,4,15,17H2,1-3H3/b8-5+,11-7+,20-12-/t18-,19+,25+/m0/s1
SMILES c1n(c(=O)c(c(c1c1ccccc1)O)[C@@H]1OC/C(=C\C=C\C=C\[C@@H](C)CC)/C[C@H]1C)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
--Chrysosporium sp. TC1068 Ref.
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