LIPID MAPS

Structure Database (LMSD)

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Common Name

Artoindonesianin B

Systematic Name

(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one

Synonyms

LM ID

LMPK12111537

Formula

C₂₆H₂₈O₈

Exact Mass

Calculate m/z

468.178421

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Artocarpus integer (#3490)

Magnoliopsida (#3398)

Artoindonesianins A and B, two new prenylated flavones from the root of Artocarpus champeden.,
J Nat Prod, 1999

Pubmed ID: 10217722

DOI: 10.1021/np980279l

String Representations

InChiKey (Click to copy)

UYYZSBJGWJNBMX-SOFGYWHQSA-N

InChi (Click to copy)

InChI=1S/C26H28O8/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)34-30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-10,12-13,21,27-28,30H,11H2,1-5H3/b8-6+

SMILES (Click to copy)

C12=C(O)C(/C=C/C(C)C)=C(OC)C=C1OC1C3=CC=C(O)C=C3OC(C(OO)(C)C)CC=1C2=O

Other Databases

METABOLOMICS ID

FL3FRNNR0003

PubChem CID

10096171

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 4

Aromatic Rings 2

Rotatable Bonds 5

Van der Waals Molecular Volume 433.68

Topological Polar Surface Area 118.82

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 8

logP 5.92

Molar Refractivity 126.23

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Updated at

9th Jun 2026