input word = C00050010

Metabolite InformationStructural formula
Name Balsaminone B
Formula C27H22O10
Mw 506.12129692
CAS RN 213271-56-8
C_ID C00050010 ,
InChIKey NAVQPSCNRHEZLY-MTWXFFPSNA-N
InChICode InChI=1S/C27H22O10/c1-34-26-17-16-18(29)11-6-2-3-7-12(11)19(30)25(16)36-23(17)13-8-4-5-9-14(13)24(26)37-27-22(33)21(32)20(31)15(10-28)35-27/h2-9,15,20-22,27-28,31-33H,10H2,1H3/t15-,20-,21+,22-,27+/m1/s1
SMILES c1ccc2c(c1)c(c(c1c2oc2c1C(=O)c1c(C2=O)cccc1)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens balsamina Ref.
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