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Ustilaginoidin A
SpectraBase Compound ID Iz6Dugu5C8I
InChI InChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,31-36H,1-2H3
InChIKey GCSBLYZTGOQVPI-UHFFFAOYSA-N
Mol Weight 514.44 g/mol
Molecular Formula C28H18O10
Exact Mass 514.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 250FA2zkps
Name Ustilaginoidin A
CAS Registry Number 3692-07-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H18O10
InChI InChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,31-36H,1-2H3
InChIKey GCSBLYZTGOQVPI-UHFFFAOYSA-N
Molecular Weight 514.442 g/mol
SMILES Oc1c2c(c3C(C=C(Oc3cc2c(-c2c3c(c(cc2O)O)c(c2c(c3)OC(=CC2=O)C)O)c(c1)O)C)=O)O
SPLASH splash10-0ck9-1390140000-cc8cd5c22a7a5dc2c8e6
Source of Spectrum W5-0-0-0
Synonyms [9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl- 5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxobenzo[g]chromen-9-yl)benzo[g]chromen-4-one
Wiley ID 1401104