input word = C00034169

Metabolite InformationStructural formula
Name Prenantheside B
Formula C29H36O11
Mw 560.22576199
CAS RN 109974-26-7
C_ID C00034169 ,
InChIKey CVDZSJQRLCCTGM-UHFFFAOYNA-N
InChICode InChI=1S/C29H36O11/c1-13-17-8-9-29(3,36)18-11-19(14(2)22(18)26(17)40-27(13)35)38-28-25(34)24(33)23(32)20(39-28)12-37-21(31)10-15-4-6-16(30)7-5-15/h4-7,17-20,22-26,28,30,32-34,36H,1-2,8-12H2,3H3/t17-,18+,19+,20+,22+,23+,24-,25-,26-,28-,29+/m0/s1
SMILES [C@H]12[C@@H](CC[C@]([C@H]3[C@H]1C(=C)[C@@H](C3)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)COC(=O)Cc1ccc(cc1)O)(O)C)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNabalus acerifolius Maxim. Ref.
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