CHEBI:205467 - Ymf 1029E

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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 Ymf 1029E
ChEBI ID CHEBI:205467
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H18O8
Net Charge 0
Average Mass 422.389
Monoisotopic Mass 422.10017
InChI InChI=1S/C23H18O8/c24-10-6-7-12-16-14(10)17(25)18-20(28-18)23(16)30-11-4-1-3-9-15(11)22(29-12,31-23)13-5-2-8-21(13,27)19(9)26/h1,3-4,6-7,13,17-18,20,24-25,27H,2,5,8H2/t13-,17-,18-,20-,21+,22-,23+/m1/s1
InChIKey PGWYTUHCGYSVOJ-VICRBMHYSA-N
SMILES O=C1C2=C3C(O[C@@]45C=6C(=C(O)C=CC6O[C@@]3(O4)[C@H]7[C@@]1(O)CCC7)[C@@H](O)[C@@H]8[C@H]5O8)=CC=C2
ChEBI Ontology
Outgoing Ymf 1029E (CHEBI:205467) is a tetralins (CHEBI:36786)
IUPAC Name
(1R,2R,6S,14S,15R,17R,18R)-6,18,20-trihydroxy-13,16,24,25-tetraoxaoctacyclo[12.10.1.11,8.114,19.02,6.015,17.012,27.023,26]heptacosa-8(27),9,11,19,21,23(26)-hexaen-7-one
Manual Xref Database
24703973 ChemSpider
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