input word = C00016897

Metabolite InformationStructural formula
Name Quinolidomicin A1
Formula C83H132O23S
Mw 1528.88801125
CAS RN 148504-47-6
C_ID C00016897 ,
InChIKey ICRSVVBHIOAZHM-FOGXVAHRNA-N
InChICode InChI=1S/C83H132O23S/c1-51-24-19-21-32-63(88)44-68(93)46-69(33-22-20-25-52(2)35-39-75(104-9)77-80(102)72(96)48-73(97)82(77)107-10)105-76(99)50-83(103)49-74(98)57(7)81(106-83)58(8)79(101)55(5)27-23-26-54(4)78(100)56(6)71(95)47-70(94)53(3)36-38-65(90)45-67(92)43-62(87)31-18-14-17-30-61(86)42-66(91)41-60(85)29-16-13-11-12-15-28-59(84)40-64(89)37-34-51/h11-18,20,22-23,25-27,29,31,33,48,51-53,55-65,67-71,74-75,78-79,81,84-90,92-96,98,100-101,103H,19,21,24,28,30,32,34-47,49-50H2,1-10H3/b13-11-,15-12-,17-14-,25-20+,27-23-,29-16+,31-18+,33-22+,54-26+/t51-,52-,53-,55-,56+,57-,58-,59-,60-,61+,62+,63-,64+,65-,67-,68-,69-,70+,71+,74-,75+,78+,79+,81-,83+/m0/s1
SMILES COC(CCC(C)/C=C/C=C/C1CC(O)CC(O)CCCCC(C)CCC(O)CC(O)C/C=CC=C/C=C/C(O)CC(=O)CC(O)C/C=CC=CC(O)CC(O)CC(O)CCC(C)C(O)CC(O)C(C)C(O)/C(C)=C/C=CC(C)C(O)C(C)C2OC(O)(CC(=O)O1)CC(O)C2C)C1=C(SC)C(=O)C=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. JY16 Ref.
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