CHEBI:216099 - Phellinstatin

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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 Phellinstatin
ChEBI ID CHEBI:216099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H26O15
Net Charge 0
Average Mass 734.622
Monoisotopic Mass 734.12717
InChI InChI=1S/C39H26O15/c40-20-12-31(53-33(48)13-20)35-36-32(54-37(35)19-4-8-25(42)27(44)11-19)15-22(52-39(36)50)6-3-18-10-28(45)29(46)16-23(18)34-30(47)14-21(51-38(34)49)5-1-17-2-7-24(41)26(43)9-17/h1-16,35,37,40-47H/b5-1+,6-3+/t35-,37+/m0/s1
InChIKey KAEWYNFUJFCGQA-UPSVAIHWSA-N
SMILES O=C1OC(=CC(=C1C2=C(C=C(O)C(=C2)O)/C=C/C=3OC(=O)C=4[C@H](C=5OC(=O)C=C(C5)O)[C@H](OC4C3)C6=CC(O)=C(O)C=C6)O)/C=C/C7=CC(O)=C(O)C=C7
Metabolite of Species Details
Tropicoporus linteus (NCBI:txid1659895) See: PubMed
ChEBI Ontology
Outgoing Phellinstatin (CHEBI:216099) is a catechols (CHEBI:33566)
IUPAC Name
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(E)-2-[2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-4,5-dihydroxyphenyl]ethenyl]-3-(4-hydroxy-6-oxopyran-2-yl)-2,3-dihydrouro[3,2-c]pyran-4-one
Manual Xref Database
26385089 ChemSpider
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