LIPID MAPS

Structure Database (LMSD)

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Common Name

Skyrin

Systematic Name

2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-[1S,1'-bianthracene]-9,9',10,10'-tetrone

Synonyms

Endothianin
Rhodophyscin

LM ID

LMPK13040019

Formula

C₃₀H₁₈O₁₀

Exact Mass

Calculate m/z

538.09

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

View MassBank spectra

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Talaromyces islandicus (#28573)

Eurotiomycetes (#147545)

Rubiadin, a new antioxidant from Rubia cordifolia.,
Indian J Biochem Biophys, 1997

Pubmed ID: 9425750

String Representations

InChiKey (Click to copy)

MQSXZQXHIJMNAF-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3

SMILES (Click to copy)

C12C(O)=CC(O)=C(C3=C(C=C(O)C4C(=O)C5=C(C=C(C)C=C5O)C(=O)C=43)O)C=1C(=O)C1=C(C(O)=CC(C)=C1)C2=O

Other Databases

CHEBI ID

144311

PubChem CID

73071

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 6

Aromatic Rings 4

Rotatable Bonds 1

Van der Waals Molecular Volume 455.46

Topological Polar Surface Area 189.66

Hydrogen Bond Donors 6

Hydrogen Bond Acceptors 10

logP 3.75

Molar Refractivity 137.95

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Created at

16th Apr 2021

Updated at