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CHEBI:191573 - 7-Oxociguatoxin

ChEBI IDCHEBI:191573
ChEBI Name7-Oxociguatoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H86O20
Net Charge0
Average Mass1127.328
Monoisotopic Mass1126.57125
SMILESCC1CC2OC3C(CC2OC2CC4OC5C/C=C\CC6OC7C=CC8OC9C(CC8OC7C=CC6OC5CC(O)C4(C)OC2C1)OC1CC(=O)CC(/C=C\C(O)CO)OC1C9O)OC1C(C)C(C)C2(CC(O)CO2)OC1C(O)C3C
InChIInChI=1S/C60H86O20/c1-27-16-41-43(21-48-54(77-41)29(3)52(66)58-55(78-48)28(2)30(4)60(80-58)24-33(64)26-68-60)73-45-23-51-59(5,79-46(45)17-27)50(65)22-44-36(75-51)9-7-6-8-35-37(72-44)12-13-39-38(70-35)14-15-40-42(71-39)20-49-57(76-40)53(67)56-47(74-49)19-32(63)18-34(69-56)11-10-31(62)25-61/h6-7,10-15,27-31,33-58,61-62,64-67H,8-9,16-26H2,1-5H3/b7-6-,11-10-
InChIKeyUNXJZYZQFRPZGK-QOXWLJPHSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
Roles Classification
Biological Role:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
ChEBI Ontology
Outgoing Relation(s)
7-Oxociguatoxin (CHEBI:191573) is a ciguatoxin (CHEBI:61275)
IUPAC Name 
(29Z)-16-[(Z)-3,4-dihydroxybut-1-enyl]-4',19,48,59-tetrahydroxy-43,44,49,54,58-pentamethylspiro[2,7,11,17,21,26,33,37,41,46,51,57-dodecaoxadodecacyclo[30.28.0.03,27.06,25.08,22.010,20.012,18.034,58.036,56.038,52.040,50.042,47]hexaconta-4,23,29-triene-45,2'-oxolane]-14-one
Manual XrefsDatabases
HMDB0039389HMDB
35014789ChemSpider