CHEBI:175660 - Erinacine G

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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 Erinacine G
ChEBI ID CHEBI:175660
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O8
Net Charge 0
Average Mass 464.555
Monoisotopic Mass 464.24102
InChI InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1
InChIKey HVLLJUVTXKLMKW-PWEREOCZSA-N
SMILES O1[C@]2([C@@]3(C4(O)C(O)C(O)(C(O)C3=CC[C@]5([C@]2(CC[C@](C5=O)(CCC(=O)C(C)C)C)C)[H])COC14)[H])[H]
ChEBI Ontology
Outgoing Erinacine G (CHEBI:175660) is a furopyran (CHEBI:74927)
IUPAC Name
(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.04,17.06,16.07,12]nonadec-14-en-11-one
Manual Xref Database
8727483 ChemSpider
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