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CHEBI:203899 - SMTP-33

ChEBI IDCHEBI:203899
ChEBI NameSMTP-33
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO9
Net Charge0
Average Mass547.645
Monoisotopic Mass547.27813
SMILESCC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)C3=O)C[C@@H]1O
InChIInChI=1S/C29H41NO9/c1-15(2)7-5-8-16(3)9-6-10-29(4)22(33)12-18-20(32)11-17-19(26(18)39-29)13-30(27(17)36)23-25(35)24(34)21(14-31)38-28(23)37/h7,9,11,21-25,28,31-35,37H,5-6,8,10,12-14H2,1-4H3/t21-,22+,23-,24-,25-,28?,29+/m1/s1
InChIKeyWAWWYDSNPAJUCG-PZQDVNKUSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys microspora (ncbitaxon:80391) - PubMed (20842143)
ChEBI Ontology
Outgoing Relation(s)
SMTP-33 (CHEBI:203899) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-8-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
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78437066ChemSpider