input word = C00018516

Metabolite InformationStructural formula
Name Irumanolide II
Formula C34H56O8
Mw 592.39751876
CAS RN 87084-45-5
C_ID C00018516 ,
InChIKey OOJRNONYBXTOMZ-CZHRTYANNA-N
InChICode InChI=1S/C34H56O8/c1-9-28(36)25(7)31(39)23(5)18-24(6)33-26(8)30(38)20(2)14-15-27(35)13-11-10-12-21(3)32-22(4)16-17-34(40,42-32)19-29(37)41-33/h12,14-16,20,23-27,30-33,35,38-40H,9-11,13,17-19H2,1-8H3/b15-14-,21-12+/t20-,23-,24-,25-,26+,27-,30+,31+,32+,33+,34-/m0/s1
SMILES CCC(=O)C(C)C(O)C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)/C(C)=C/CCCC(O)/C=CC(C)C(O)C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces subflavus subsp. irumaensis FN-114 Ref.
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