CHEBI:200681 - Rufoolivacin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rufoolivacin B
ChEBI ID CHEBI:200681
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H28O10
Net Charge 0
Average Mass 572.566
Monoisotopic Mass 572.16825
InChI InChI=1S/C32H28O10/c1-13-23(14(2)34)31(37)25-18(8-16(39-3)10-21(25)41-5)24(13)27-19-9-17(40-4)11-22(42-6)26(19)32(38)28-20(35)7-15(12-33)30(36)29(27)28/h7-11,33,37-38H,12H2,1-6H3
InChIKey RUAUPUXZRWBHLV-UHFFFAOYSA-N
SMILES O=C1C=2C(=C(O)C3=C(OC)C=C(C=C3C2C=4C=5C(C(O)=C(C4C)C(=O)C)=C(OC)C=C(C5)OC)OC)C(=O)C=C1CO
Metabolite of Species Details
Calonarius rufo-olivaceus (NCBI:txid222049) See: DOI
ChEBI Ontology
Outgoing Rufoolivacin B (CHEBI:200681) is a lignan (CHEBI:25036)
IUPAC Name
9-(3-acetyl-4-hydroxy-5,7-dimethoxy-2-methylnaphthalen-1-yl)-10-hydroxy-2-(hydroxymethyl)-5,7-dimethoxyanthracene-1,4-dione
Manual Xref Database
78434672 ChemSpider
View more database links