CHEBI:178149 - Diosbulbinoside D

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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 Diosbulbinoside D
ChEBI ID CHEBI:178149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H30O11
Net Charge 0
Average Mass 506.504
Monoisotopic Mass 506.17881
InChI InChI=1S/C25H30O11/c1-25-7-16(10-2-3-32-9-10)34-23(31)14(25)6-15(18-12-4-11(5-13(18)25)33-22(12)30)35-24-21(29)20(28)19(27)17(8-26)36-24/h2-3,9,11-14,16-17,19-21,24,26-29H,4-8H2,1H3/t11-,12+,13+,14+,16-,17+,19+,20-,21+,24+,25-/m0/s1
InChIKey KXNADXBKEHOTDP-DRXALLTBSA-N
SMILES O1[C@@]2(C[C@]3([C@]4([C@](CC(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)=C3[C@@](C2)(C1=O)[H])(C(O[C@@H](C4)C=6C=COC6)=O)[H])C)[H])[H]
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
ChEBI Ontology
Outgoing Diosbulbinoside D (CHEBI:178149) is a organic heterotricyclic compound (CHEBI:26979)
Diosbulbinoside D (CHEBI:178149) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,5S,8S,10S,11S,13R)-8-(uran-3-yl)-10-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadec-2-ene-6,15-dione
Manual Xref Database
158164 ChemSpider
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Registry Number Type Source
66756-59-0 CAS Registry Number ChemIDplus