input word = C00018708

Metabolite InformationStructural formula
Name Labilomycin
Antibiotic 1063Z
Pulvomycin
Formula C47H66O13
Mw 838.4503422
CAS RN 11006-66-9
C_ID C00018708 ,
InChIKey FXSFWUNCIOIMAC-WFGIJKFWNA-N
InChICode InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13-,18-12+,20-19-,22-15+,23-16+,24-17+,29-28+,30-26+,31-21-/t32-,33+,34-,35-,37+,38-,39-,40-,43+,44-,45-,46-,47+/m0/s1
SMILES C\1=C\C(=C\[C@@H](/C(=C/CC(=O)O[C@@H](C/C=C/C=C/C=C/[C@@H](C(=O)\C(=C1)\C)O)[C@@H](C)[C@@H]([C@@H](C)C(=O)/C=C/C=C\C=C\[C@@H](O)[C@H](C)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC)O)OC)O)/C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces albosporeus subsp. labilomyceticus A955-Y3 Ref.
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