input word = C00033755

Metabolite InformationStructural formula
Name Deglucohellebrin
Formula C30H42O10
Mw 562.27779756
CAS RN 20300-44-1
C_ID C00033755 ,
InChIKey HNNFRQFXBWSJBX-MBARFNSLNA-N
InChICode InChI=1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16-,18-,19+,20-,21+,23-,24+,25+,26-,27+,28-,29-,30-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1coc(=O)cc1)C)O)C=O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeHelleborus caucasicus Ref.
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