CHEBI:175496 - Erinacine E

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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 E
ChEBI ID CHEBI:175496
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O6
Net Charge 0
Average Mass 432.557
Monoisotopic Mass 432.25119
InChI InChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3
InChIKey YUCYEVHMFBEBSC-UHFFFAOYSA-N
SMILES O1C2C3(C(C=4C(CC3)(CCC4C(C)C)C)CC=C5C2C6(O)C1OCC(O)(C6O)C5O)C
ChEBI Ontology
Outgoing Erinacine E (CHEBI:175496) is a diterpenoid (CHEBI:23849)
IUPAC Name
9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-diene-18,19,20,22-tetrol
Manual Xref Database
HMDB0029656 HMDB
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