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nigrasin B

Go to external page http://purl.obolibrary.org/obo/CHEBI_68013

An extended flavonoid that is the 3S*-diastereomer of nigrasin A. It has been isolated from the twigs of Morus nigra.

Term info

Label

nigrasin B

Synonyms
  • (3S*,6aS,11bR)-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methylbut-2-en-1-yl)-3,4,6a,11b-tetrahydro-2H,6H-[1]benzofuro[3,2-b]pyrano[3,2-g]chromen-6-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(3S*,6aS,11bR)-3,5,6a,9-tetrahydroxy-2,2-dimethyl-11b-(3-methylbut-2-en-1-yl)-3,4,6a,11b-tetrahydro-2H,6H-[1]benzofuro[3,2-b]pyrano[3,2-g]chromen-6-one [ IUPAC ]

charge

0

formula

C25H26O8

has obo namespace

chebi_ontology

id

CHEBI:68013

inchi

InChI=1S/C25H26O8/c1-12(2)7-8-24-15-6-5-13(26)9-17(15)33-25(24,30)22(29)20-18(32-24)11-16-14(21(20)28)10-19(27)23(3,4)31-16/h5-7,9,11,19,26-28,30H,8,10H2,1-4H3/t19-,24+,25+/m0/s1

inchikey

ZLKLBRDQEVVKPJ-QTLGCAHFSA-N

mass

454.46910

monoisotopicmass

454.16277

smiles

CC(C)=CC[C@]12Oc3cc4OC(C)(C)[C@@H](O)Cc4c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc21