CHEBI:206837 - Fumigatoside B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fumigatoside B
ChEBI ID CHEBI:206837
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H33N5O10
Net Charge 0
Average Mass 623.619
Monoisotopic Mass 623.22274
InChI InChI=1S/C30H33N5O10/c1-13-24(41)35-17-10-6-4-8-15(17)30(44,28(35)33(13)26-22(39)21(38)20(37)19(12-36)45-26)11-18-23(40)32-29(2,43)27-31-16-9-5-3-7-14(16)25(42)34(18)27/h3-10,13,18-22,26,28,36-39,43-44H,11-12H2,1-2H3,(H,32,40)/t13-,18-,19+,20+,21-,22+,26+,28-,29+,30-/m0/s1
InChIKey CFCZBNWOXKZOMD-TUKBVIKSSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@@](O)(NC([C@@H]2C[C@]4(O)C5=C(C=CC=C5)N6[C@@H]4N([C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@@H](C)C6=O)=O)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Fumigatoside B (CHEBI:206837) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name
(1R,4S)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-hydroxy-1-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual Xref Database
78437321 ChemSpider
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