input word = C00031864

Metabolite InformationStructural formula
Name Hythiemoside A
Formula C28H46O9
Mw 526.31418307
CAS RN 853267-91-1
C_ID C00031864 ,
InChIKey ITRHSIFUIWDEGO-DWZDXSNRNA-N
InChICode InChI=1S/C28H46O9/c1-15(30)35-14-20(31)27(4)10-8-17-16(12-27)6-7-19-26(2,3)21(9-11-28(17,19)5)37-25-24(34)23(33)22(32)18(13-29)36-25/h12,17-25,29,31-34H,6-11,13-14H2,1-5H3/t17-,18-,19-,20+,21-,22-,23+,24-,25+,27+,28+/m1/s1
SMILES C1[C@@](C=C2[C@@H](C1)[C@]1([C@H](CC2)C([C@@H](CC1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C)C)([C@H](COC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Siegesbeckia orientalis L. Ref.
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