CHEBI:81331 - Aloinoside A

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ChEBI Name Aloinoside A
ChEBI ID CHEBI:81331
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32O13
Net Charge 0
Average Mass 564.53520
Monoisotopic Mass 564.18429
InChI InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16-,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey BUPDVJFRVYWYEV-PIVIZACJSA-N
SMILES C[C@@H]1O[C@@H](OCc2cc(O)c3C(=O)c4c(O)cccc4[C@H](C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c2)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Aloinoside A (CHEBI:81331) is a anthracenes (CHEBI:46955)
Manual Xref Database
C17779 KEGG COMPOUND
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