input word = C00055543

Metabolite InformationStructural formula
Name Citrusoside D
Formula C31H40O15
Mw 652.23672061
CAS RN 1255789-54-8
C_ID C00055543
InChIKey OQCKBNSJKRJRSM-PCWNKMJXSA-N
InChICode InChI=1S/C31H40O15/c1-15(2)42-29-26(37)28(25(36)20(13-32)44-29)46-24(35)12-31(5,39)11-23(34)45-21(30(3,4)38)14-41-27-16-6-7-22(33)43-19(16)10-18-17(27)8-9-40-18/h6-10,15,20-21,25-26,28-29,32,36-39H,11-14H2,1-5H3/t20-,21-,25-,26-,28+,29-,31?/m1/s1
SMILES CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)(O)CC(=O)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hystrix Ref.
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