CHEBI:205768 - Ascotrichol B

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ChEBI Name Ascotrichol B
ChEBI ID CHEBI:205768
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/c1-6(13)5-9-11(15)7-3-2-4-8(14)10(7)12(16)17-9/h2-4,6,9,11,13-15H,5H2,1H3/t6-,9-,11-/m1/s1
InChIKey OZPPUNAJNKTRIL-KNBVPPQFSA-N
SMILES O=C1O[C@@H]([C@H](O)C=2C1=C(O)C=CC2)C[C@H](O)C
Metabolite of Species Details
Ascotrichaspecies ZJ-M-5 (NCBI:txid1217164) See: PubMed
ChEBI Ontology
Outgoing Ascotrichol B (CHEBI:205768) is a 2-benzopyran (CHEBI:38444)
IUPAC Name
(3R,4R)-4,8-dihydroxy-3-[(2R)-2-hydroxypropyl]-3,4-dihydroisochromen-1-one