input word = C00010591

Metabolite InformationStructural formula
Name Durantoside 1
Formula C26H32O13
Mw 552.18429111
CAS RN 53526-67-3
C_ID C00010591 ,
InChIKey YRARGBWFOYODHQ-NBEVPFHSNA-N
InChICode InChI=1S/C26H32O13/c1-25(33)16(38-17(28)9-8-13-6-4-3-5-7-13)10-26(34)14(22(32)35-2)12-36-24(21(25)26)39-23-20(31)19(30)18(29)15(11-27)37-23/h3-9,12,15-16,18-21,23-24,27,29-31,33-34H,10-11H2,1-2H3/b9-8+/t15-,16-,18+,19+,20-,21+,23+,24-,25-,26-/m0/s1
SMILES [C@@]12([C@H]([C@@H](OC=C1C(=O)OC)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[C@]([C@H](C2)OC(=O)/C=C/c1ccccc1)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeDuranta erecta Ref.
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