input word = C00017672

Metabolite InformationStructural formula
Name Isochainin
Formula C33H54O10
Mw 610.37169795
CAS RN 121843-38-7
C_ID C00017672 ,
InChIKey QAPUWNJNUGPVPM-LZTWXVIKNA-N
InChICode InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,22-13-/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32+/m0/s1
SMILES C\1(=C\C=C\C=C\C=C\C=C\[C@@H]([C@@H](OC(=O)[C@@H]([C@@H](C[C@@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H]1O)O)O)O)O)O)O)CCCC)C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces cellulosae ATCC 12625 Ref.
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