input word = C00018515

Metabolite InformationStructural formula
Name Irumanolide I
Formula C34H54O7
Mw 574.38695408
CAS RN 87084-46-6
C_ID C00018515 ,
InChIKey JNPVEFIKDSAQPB-YCGWVDQCNA-N
InChICode InChI=1S/C34H54O7/c1-9-29(36)25(6)18-21(2)19-26(7)33-27(8)31(38)22(3)14-15-28(35)13-11-10-12-23(4)32-24(5)16-17-34(39,41-32)20-30(37)40-33/h12,14-16,18,21-22,26-28,31-33,35,38-39H,9-11,13,17,19-20H2,1-8H3/b15-14-,23-12+,25-18+/t21-,22-,26+,27-,28+,31+,32-,33-,34-/m1/s1
SMILES C1=C([C@H]2/C(=C/CCC[C@@H](/C=C\[C@H]([C@@H]([C@H]([C@H](OC(=O)C[C@@](C1)(O2)O)[C@@H](C)C[C@H](C)/C=C(\C)/C(=O)CC)C)O)C)O)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces subflavus subsp. irumaensis FN-114 Ref.
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