input word = C00016516

Metabolite InformationStructural formula
Name Macquarimicin B
Formula C22H28O6
Mw 388.18858863
CAS RN 165561-13-7
C_ID C00016516 ,
InChIKey MLTKAVZDJLQPHH-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-10-5-16-15(21(10)26)4-3-12-7-13(24)8-14-9-18(25)20(22(27)28-14)17(19(12)16)6-11(2)23/h3-4,10,12-17,19,24-25H,5-9H2,1-2H3/t10-,12+,13-,14-,15+,16+,17+,19+/m1/s1
SMILES CC(=O)CC1C2=C(O)CC(CC(O)CC3C=CC4C(=O)C(C)CC4C31)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora chalcea AB 969J-62 Ref.
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