CHEBI:169597 - Physalin H

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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 Physalin H
ChEBI ID CHEBI:169597
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H31ClO10
Net Charge 0
Average Mass 563.000
Monoisotopic Mass 562.16057
InChI InChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3
InChIKey YNEPXUIPALKHAU-UHFFFAOYSA-N
SMILES ClC12C(C3C(C45OC67C(C8(CC(OC(=O)C8CO4)C7(OC(=O)C6(O)CC3)C)C)C5=O)CC1O)(C)C(=O)C=CC2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via physalin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Physalin H (CHEBI:169597) is a physalin (CHEBI:76361)
IUPAC Name
14-chloro-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
Manual Xrefs Databases
137022 ChemSpider
HMDB0034093 HMDB
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