input word = C00010505

Metabolite InformationStructural formula
Name Cachineside III
Formula C25H30O13
Mw 538.16864105
CAS RN 104931-18-2
C_ID C00010505 ,
InChIKey XXQDVCJDTNXXPT-VGAAIUBUNA-N
InChICode InChI=1S/C25H30O13/c1-24(33)16(37-17(29)7-4-12-2-5-14(28)6-3-12)8-25(34)13(9-26)11-35-23(21(24)25)38-22-20(32)19(31)18(30)15(10-27)36-22/h2-7,9,11,15-16,18-23,27-28,30-34H,8,10H2,1H3/b7-4+/t15-,16-,18-,19+,20-,21+,22-,23-,24-,25-/m0/s1
SMILES [C@@]12([C@H]([C@@H](OC=C1C=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)[C@]([C@H](C2)OC(=O)/C=C/c1ccc(cc1)O)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeCampsis chinensis Ref.
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