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CHEBI:217709 - Ammocidin B

ChEBI IDCHEBI:217709
ChEBI NameAmmocidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H98O21
Net Charge0
Average Mass1155.423
Monoisotopic Mass1154.66006
SMILESCOCCCC1OC(O)(C(C)C2CC(C)C(O)/C=C(C)/C=C(\C)C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)/C=C(C)/C=C(OC)/C=C(\C)C(=O)O2)C(OC)C(O)C1(C)OC1CC(C)(O)C(OC2CC(C)(O)C(O)C(C)O2)C(C)O1
WURCSWURCS=2.0/2,3,2/[adXxxm-1x_1-5_3*C][axxxxm-1x_1-5]/1-2-1/a1n2-b1n1*1OC^XC^XC=^ECC=^ZCC=^ECCOC^XC^XC^XC^XC^XC^XO*2/18C^XCCCOC/21O$15/18C/17O/16OC/15O/14C/13CC^XC^XC=^ECC=^ECC=^XC$3/42C/40C/38C/36O/35C/11=O/10C/8OC/6C/4C_a4-c1
InChIInChI=1S/C60H98O21/c1-30-21-31(2)25-42(61)33(4)27-43(77-55(67)36(7)26-41(72-16)24-32(3)23-35(6)50(34(5)22-30)79-56-49(64)48(63)47(62)38(9)76-56)37(8)60(70)54(73-17)52(66)59(14,44(80-60)19-18-20-71-15)81-46-29-58(13,69)53(40(11)75-46)78-45-28-57(12,68)51(65)39(10)74-45/h21-26,33,35,37-40,42-54,56,61-66,68-70H,18-20,27-29H2,1-17H3/b30-21+,31-25+,32-23+,34-22?,36-26+,41-24-
InChIKeyOAHWARPJGYKCFN-MSHLDNDMSA-N
Species of MetaboliteComponentSourceComments
Saccharothrixspecies AJ9571 (ncbitaxon:2912058) - PubMed (19198629)
ChEBI Ontology
Outgoing Relation(s)
Ammocidin B (CHEBI:217709) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(3E,5Z,7E,13E,15E)-20-[1-[5-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-17-hydroxy-5-methoxy-3,7,9,11,13,15,18-heptamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one