CHEBI:173271 - 1-Methoxyphaseollin

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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 1-Methoxyphaseollin
ChEBI ID CHEBI:173271
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:1360357, ZINC000000538471
Download Molfile XML SDF
Formula C21H20O5
Net Charge 0
Average Mass 352.386
Monoisotopic Mass 352.13107
InChI InChI=1S/C21H20O5/c1-21(2)9-8-12-16(26-21)7-5-11-14-10-24-19-13(18(14)25-17(11)12)4-6-15(22)20(19)23-3/h4-9,14,18,22H,10H2,1-3H3
InChIKey JQFXBCOZQHXLQX-UHFFFAOYSA-N
SMILES O1C2C(C3=C1C4=C(OC(C=C4)(C)C)C=C3)COC5=C2C=CC(O)=C5OC
ChEBI Ontology
Outgoing 1-Methoxyphaseollin (CHEBI:173271) is a pterocarpans (CHEBI:26377)
IUPAC Name
6-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
Manual Xrefs Databases
35015119 ChemSpider
HMDB0041172 HMDB
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