input word = C00037258

Metabolite InformationStructural formula
Name Hellebortin B
Formula C30H40O11
Mw 576.25706212
CAS RN 352029-26-6
C_ID C00037258 ,
InChIKey JVNHJQQCJWSWPX-CVAUCDCONA-N
InChICode InChI=1S/C30H40O11/c1-27-8-4-17-18(29(27,37)10-5-16(27)15-2-3-21(33)38-13-15)6-11-30(25-19(39-25)7-9-28(17,30)14-32)41-26-24(36)23(35)22(34)20(12-31)40-26/h2-3,13-14,16-20,22-26,31,34-37H,4-12H2,1H3/t16-,17+,18-,19-,20-,22-,23+,24-,25-,26+,27-,28+,29+,30+/m1/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@]4(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C5OC5CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeHelleborus torquatus Ref.
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