input word = C00016066

Metabolite InformationStructural formula
Name 0624B
Nocardicyclin B
Formula C32H37NO12
Mw 627.23157566
CAS RN 199173-82-5
C_ID C00016066 ,
InChIKey KSIJUTXUYOOHKG-UPARBPHDNA-N
InChICode InChI=1S/C32H37NO12/c1-13-29(44-14(2)34)31(3,33(5)6)12-19(43-13)45-27-21-16(28(39)32(4,40)30(27)42-8)11-15-20(25(21)37)26(38)22-17(35)9-10-18(41-7)23(22)24(15)36/h9-11,13,19,27,29-30,35,37,40H,12H2,1-8H3/t13-,19+,27+,29-,30+,31+,32-/m0/s1
SMILES [C@@H]1([C@@](C(=O)c2c([C@H]1O[C@H]1O[C@H]([C@@H]([C@@](C1)(N(C)C)C)OC(=O)C)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2OC)O)O)(C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia pseudobrasiliensis IFM 0624 (JCM 9894) Ref.
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