CHEBI:8178 - Phyllanthostatin A

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ChEBI Name Phyllanthostatin A
ChEBI ID CHEBI:8178
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H30O13
Net Charge 0
Average Mass 586.542
Monoisotopic Mass 586.16864
InChI InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1
InChIKey KQSAUOPDQAYSSQ-GPXXLQEOSA-N
SMILES COc1cc2cc(COC(C)=O)c(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc4OCOc4c3)c2cc1OC
ChEBI Ontology
Outgoing Phyllanthostatin A (CHEBI:8178) is a glycoside (CHEBI:24400)
Phyllanthostatin A (CHEBI:8178) is a lignan (CHEBI:25036)
Synonym Source
Phyllanthostatin A KEGG COMPOUND
Manual Xrefs Databases
C00002618 KNApSAcK
C10870 KEGG COMPOUND
View more database links
Registry Number Type Source
119767-19-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014