input word = C00034350

Metabolite InformationStructural formula
Name Youngiaside B
Formula C29H34O11
Mw 558.21011193
CAS RN 106235-35-2
C_ID C00034350 ,
InChIKey KFDOCCBDCCRFBI-OYTZJMFXNA-N
InChICode InChI=1S/C29H34O11/c1-13-18-8-5-16(23(18)26-19(10-20(13)32)14(2)28(36)40-26)12-37-29-25(35)27(24(34)21(11-30)38-29)39-22(33)9-15-3-6-17(31)7-4-15/h3-7,19-21,23-27,29-32,34-35H,2,8-12H2,1H3/t19-,20+,21+,23-,24+,25+,26-,27-,29+/m0/s1
SMILES [C@@H]12[C@@H]3C(=C([C@@H](C[C@H]1C(=C)C(=O)O2)O)C)CC=C3CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)Cc1ccc(cc1)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeYoungia denticulata (Houtt.) Kitam. Ref.
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