CHEBI:224852 - Alterporriol T

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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 Alterporriol T
ChEBI ID CHEBI:224852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30O13
Net Charge 0
Average Mass 622.579
Monoisotopic Mass 622.16864
InChI InChI=1S/C32H30O13/c1-31(42)9-13-10(6-17(31)34)26(37)19-11(25(13)36)5-15(44-3)23(28(19)39)22-16(45-4)8-14(33)21-24(22)29(40)20-12(27(21)38)7-18(35)32(2,43)30(20)41/h5,8,17-18,30,33-35,39,41-43H,6-7,9H2,1-4H3/t17-,18-,30-,31+,32-/m1/s1
InChIKey IEFTVHHVCNGFFB-CYFFLJPJSA-N
SMILES O=C1C2=C(C3=C(O)C=4C(=O)C5=C(C[C@@](O)(C)[C@@H](C5)O)C(C4C=C3OC)=O)C(OC)=CC(=C2C(=O)C6=C1[C@@H](O)[C@@](O)(C)[C@@H](C6)O)O
Metabolite of Species Details
Stemphyliumspecies 33231 (NCBI:txid1418481) See: PubMed
ChEBI Ontology
Outgoing Alterporriol T (CHEBI:224852) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(2R,3R,4R)-2,3,4,8-tetrahydroxy-6-methoxy-3-methyl-5-[(6S,7R)-1,6,7-trihydroxy-3-methoxy-6-methyl-9,10-dioxo-7,8-dihydro-5H-anthracen-2-yl]-2,4-dihydro-1H-anthracene-9,10-dione
Manual Xref Database
34981547 ChemSpider
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