CHEBI:175844 - Cycloheterophyllin

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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 Cycloheterophyllin
ChEBI ID CHEBI:175844
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H30O7
Net Charge 0
Average Mass 502.563
Monoisotopic Mass 502.19915
InChI InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
InChIKey ZZPIXEJZTXAVCX-UHFFFAOYSA-N
SMILES O1C(C=CC=2C1=C(C=3OC4=C(C(OC=5C4=CC(O)=C(O)C5)C=C(C)C)C(=O)C3C2O)CC=C(C)C)(C)C
ChEBI Ontology
Outgoing Cycloheterophyllin (CHEBI:175844) is a extended flavonoid (CHEBI:71037)
IUPAC Name
6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,15,17,21-octaen-13-one
Manual Xrefs Databases
4475345 ChemSpider
HMDB0030685 HMDB
LMPK12110921 LIPID MAPS
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Registry Number Type Source
36545-53-6 CAS Registry Number ChemIDplus