input word = C00041335

Metabolite InformationStructural formula
Name Andrographiside
Formula C26H40O10
Mw 512.2621475
CAS RN 82209-76-5
C_ID C00041335 ,
InChIKey VUEPOIYXKZTLMD-PINZVBLGNA-N
InChICode InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16-,17-,18+,19-,20-,21+,22-,24-,25-,26+/m1/s1
SMILES [C@H]1(CC[C@]2([C@@H]([C@@]1(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)CCC(=C)[C@H]2C/C=C\1/C(=O)OC[C@H]1O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAndrographis paniculata Ref.
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