CHEBI:175760 - Lansiumarin 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 Lansiumarin B
ChEBI ID CHEBI:175760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O6
Net Charge 0
Average Mass 370.401
Monoisotopic Mass 370.14164
InChI InChI=1S/C21H22O6/c1-14(5-4-10-21(2,3)27-23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey NNZMYFZCHMIZMN-OVXNXNIRSA-N
SMILES O(C=1C=2OC=CC2C=C3C1OC(=O)C=C3)C\C=C(\C\C=C\C(OO)(C)C)/C
ChEBI Ontology
Outgoing Lansiumarin B (CHEBI:175760) is a psoralens (CHEBI:26369)
IUPAC Name
9-[(2E,5E)-7-hydroperoxy-3,7-dimethylocta-2,5-dienoxy]uro[3,2-g]chromen-7-one
Manual Xrefs Databases
8674787 ChemSpider
HMDB0034836 HMDB
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