CHEBI:188785 - Decarbamoyl-alpha-saxitoxinol

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ChEBI Name Decarbamoyl-alpha-saxitoxinol
ChEBI ID CHEBI:188785
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16N6O2
Net Charge 0
Average Mass 240.267
Monoisotopic Mass 240.13347
InChI InChI=1S/C9H16N6O2/c10-7-13-6-4(3-16)12-8(11)15-2-1-5(17)9(6,15)14-7/h4-6,16-17H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5+,6-,9+/m0/s1
InChIKey AIOWIOMRQZYDEM-SOVPELCUSA-N
SMILES O[C@H]1[C@]23N(CC1)C(=N[C@H]([C@@]3(N=C(N2)N)[H])CO)N
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing Decarbamoyl-alpha-saxitoxinol (CHEBI:188785) has role marine metabolite (CHEBI:76507)
Decarbamoyl-alpha-saxitoxinol (CHEBI:188785) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(3aS,4R,10R,10aS)-2,6-diamino-4-(hydroxymethyl)-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-10-ol
Manual Xref Database
44210976 ChemSpider
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Registry Number Type Source
75352-31-7 CAS Registry Number ChemIDplus