CHEBI:215900 - Sucro-neolambertillin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Sucro-neolambertillin
ChEBI ID CHEBI:215900
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O15
Net Charge 0
Average Mass 582.511
Monoisotopic Mass 582.15847
InChI InChI=1S/C26H30O15/c1-10-5-11-6-14(16-12(3-2-4-13(16)30)20(11)38-23(10)36)39-25(8-28)21(34)22(35)26(9-29,41-25)40-24-19(33)18(32)17(31)15(7-27)37-24/h2-6,15,17-19,21-22,24,27-35H,7-9H2,1H3/t15-,17-,18+,19-,21+,22+,24-,25-,26-/m1/s1
InChIKey HABCTTDPKMSEOW-FPAQFCJTSA-N
SMILES O=C1OC=2C=3C(C(O[C@@]4(O[C@](O[C@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)(CO)[C@H]([C@@H]4O)O)CO)=CC2C=C1C)=C(O)C=CC3
Metabolite of Species Details
Lambertella (NCBI:txid38462) See: PubMed
ChEBI Ontology
Outgoing Sucro-neolambertillin (CHEBI:215900) is a glycoside (CHEBI:24400)
IUPAC Name
6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-7-hydroxy-3-methylbenzo[h]chromen-2-one
Manual Xref Database
78437549 ChemSpider
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