CHEBI:203234 - 3''-Demethylchartreusin

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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 3''-Demethylchartreusin
ChEBI ID CHEBI:203234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H30O14
Net Charge 0
Average Mass 626.567
Monoisotopic Mass 626.16356
InChI InChI=1S/C31H30O14/c1-9-7-8-14-17-15(9)28(38)44-26-16-12(22(34)19(18(17)26)29(39)42-14)5-4-6-13(16)43-31-27(24(36)21(33)11(3)41-31)45-30-25(37)23(35)20(32)10(2)40-30/h4-8,10-11,20-21,23-25,27,30-37H,1-3H3
InChIKey YEHWMDOPGZMLDO-UHFFFAOYSA-N
SMILES O=C1OC2=C3C(C(=O)OC4=C3C1=C(O)C=5C4=C(OC6OC(C(O)C(C6OC7OC(C(O)C(C7O)O)C)O)C)C=CC5)=C(C)C=C2
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 3''-Demethylchartreusin (CHEBI:203234) is a benzochromenone (CHEBI:64986)
3''-Demethylchartreusin (CHEBI:203234) is a glycoside (CHEBI:24400)
IUPAC Name
3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Manual Xref Database
16205514 ChemSpider
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