input word = C00055542

Metabolite InformationStructural formula
Name Citrusoside C
Formula C31H40O15
Mw 652.23672061
CAS RN 1255789-53-7
C_ID C00055542
InChIKey XBERMWCBCNLULE-ZAVTUZFISA-N
InChICode InChI=1S/C31H40O15/c1-15(2)43-29-27(37)26(36)25(35)20(45-29)13-41-23(33)11-31(5,39)12-24(34)46-21(30(3,4)38)14-42-28-16-6-7-22(32)44-19(16)10-18-17(28)8-9-40-18/h6-10,15,20-21,25-27,29,35-39H,11-14H2,1-5H3/t20-,21-,25-,26+,27-,29-,31?/m1/s1
SMILES O=C(C=C1)OC2=C1C(OC[C@H](C(C)(C)O)OC(CC(O)(C)CC(OC[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(C)C)O3)=O)=O)=C(C=CO4)C4=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hystrix Ref.
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