CHEBI:203188 - Balticol 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 Balticol B
ChEBI ID CHEBI:203188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O5
Net Charge 0
Average Mass 238.239
Monoisotopic Mass 238.08412
InChI InChI=1S/C12H14O5/c1-17-7-3-8-11(10(15)4-7)9(14)2-6(5-13)12(8)16/h3-4,6,12-13,15-16H,2,5H2,1H3/t6-,12-/m1/s1
InChIKey NRAJSFHOTNRJER-SREIQFSDSA-N
SMILES O=C1C2=C(O)C=C(OC)C=C2[C@H](O)[C@H](C1)CO
ChEBI Ontology
Outgoing Balticol B (CHEBI:203188) is a tetralins (CHEBI:36786)
IUPAC Name
(3R,4R)-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual Xref Database
78436973 ChemSpider
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