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CHEBI:209019 - Ammocidin

ChEBI IDCHEBI:209019
ChEBI NameAmmocidin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC59H96O22
Net Charge0
Average Mass1157.395
Monoisotopic Mass1156.63932
SMILESCOCCCC1OC(O)(C(C)C2CC(OC)C(O)/C=C(C)/C=C(C)/C=C(\C)C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)C(C)/C=C(C)/C=C(OC)/C=C(\C)C(=O)O2)C(OC)C(O)C1(C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@](C)(O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
WURCSWURCS=2.0/3,3,2/[ad222m-1b_1-5][a1211m-1a_1-5][ad522m-1b_1-5_3*C]/1-2-3/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=^EC$3/42C/40C/38C/36O/35OC/11=O/10C/8OC/6C/4C_a4-c1
InChIInChI=1S/C59H96O22/c1-29-20-30(2)24-40(60)43(72-15)27-42(77-55(67)34(6)25-39(71-14)23-31(3)22-33(5)50(32(4)21-29)79-56-49(64)48(63)47(62)36(8)76-56)35(7)59(69)54(73-16)53(66)58(12,44(80-59)18-17-19-70-13)81-45-26-41(61)51(37(9)74-45)78-46-28-57(11,68)52(65)38(10)75-46/h20-25,33,35-38,40-54,56,60-66,68-69H,17-19,26-28H2,1-16H3/b29-20+,30-24+,31-22+,32-21+,34-25+,39-23-/t33?,35?,36-,37+,38+,40?,41-,42?,43?,44?,45-,46-,47-,48+,49-,50?,51+,52+,53?,54?,56-,57+,58?,59?/m0/s1
InChIKeyQVIWDCUKIZPUBD-TXIOLSINSA-N
Species of MetaboliteComponentSourceComments
Saccharothrixspecies AJ9571 (ncbitaxon:2912058) - PubMed (11714226)
ChEBI Ontology
Outgoing Relation(s)
Ammocidin (CHEBI:209019) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(3E,5Z,7E,11E,13E,15E)-20-[1-[5-[(2S,4S,5S,6R)-5-[(2S,4R,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3-methoxy-6-(3-methoxypropyl)-5-methyloxan-2-yl]ethyl]-17-hydroxy-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one
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