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sigmoidin B
SpectraBase Compound ID UJMUbNyXF4
InChI InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3
InChIKey SFQIGPZCFNTPOD-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4MBP7In7xY
Name sigmoidin B
CAS Registry Number 87746-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3
InChIKey SFQIGPZCFNTPOD-UHFFFAOYSA-N
Molecular Weight 356.374 g/mol
SMILES Oc1c(cc(C2CC(c3c(cc(cc3O)O)O2)=O)cc1O)CC=C(C)C
SPLASH splash10-0k96-6903000000-a49e7d7955c465c7d841
Source of Spectrum KC-1986-35-6
Synonyms 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one 2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chroman-4-one 2-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
Wiley ID 1345811