input word = C00037259

Metabolite InformationStructural formula
Name Hellebortin C
Formula C29H40O11
Mw 564.25706212
CAS RN 352029-29-9
C_ID C00037259 ,
InChIKey MZHZXWLYKXXRAM-YJNTWXGKNA-N
InChICode InChI=1S/C29H40O11/c1-26-8-4-17-16(27(26,35)9-5-15(26)14-2-3-20(31)37-13-14)6-11-29(24-18(38-24)7-10-28(17,29)36)40-25-23(34)22(33)21(32)19(12-30)39-25/h2-3,13,15-19,21-25,30,32-36H,4-12H2,1H3/t15-,16-,17+,18-,19-,21-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1
SMILES C1[C@@H]2[C@H]([C@@]3([C@](C1)([C@@H]1[C@@H](CC3)[C@@]3([C@](CC1)([C@H](CC3)c1coc(=O)cc1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeHelleborus torquatus Ref.
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OrganismHelleborus torquatus
ReferenceMeng,Phytochem.,57,(2001),401