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Substance Name: Allioside-A
ID: BA18000000
InChIKey: AQSGPBZKCWAVRA-UVTZQAHCSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C29-H46-O10

Molecular Weight

  • 534.6418
 
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Names and Synonyms

  • Allioside-A

Registry Numbers

ID Number

  • NIOSH/BA1800000

System Generated Number

  • BA18000000

Structure Descriptors

InChI

1S/C29H42O9/c1-16-22(31)12-23(32)25(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-24(33)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-23,25,31-32,34-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,23-,25+,26-,27+,28+,29+/m1/s1

InChIKey

AQSGPBZKCWAVRA-UVTZQAHCSA-N

Smiles

C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)C[C@@H]1O