CHEBI:748 - 12alpha-Hydroxyamoorstatin

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ChEBI Name 12alpha-Hydroxyamoorstatin
ChEBI ID CHEBI:748
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H36O10
Net Charge 0
Average Mass 532.581
Monoisotopic Mass 532.23085
InChI InChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23?,24+,25+,26+,27+,28+/m0/s1
InChIKey PUNWVWPDKCBXSA-RMOQNIQOSA-N
SMILES CC(=O)O[C@@H]1C[C@H](O)[C@@]23COC(O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1
ChEBI Ontology
Outgoing 12alpha-Hydroxyamoorstatin (CHEBI:748) is a limonoid (CHEBI:39434)
Synonym Source
12alpha-Hydroxyamoorstatin KEGG COMPOUND
Manual Xrefs Databases
C00003715 KNApSAcK
C08767 KEGG COMPOUND
View more database links
Registry Number Type Source
71590-47-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014