input word = C00058391

Metabolite InformationStructural formula
Name Caeruleoside B
Formula C33H44O18
Mw 728.25276461
CAS RN 165198-47-0
C_ID C00058391
InChIKey HADYJKOVEHJYKM-UHFFFAOYSA-N
InChICode InChI=1S/C33H44O18/c1-4-13-15-6-7-43-29(41)17(15)10-45-30(13)50-33-26(39)24(37)27-20(48-33)12-44-21(49-27)8-16-14(5-2)31(46-11-18(16)28(40)42-3)51-32-25(38)23(36)22(35)19(9-34)47-32/h4-5,10-11,13-16,19-27,30-39H,1-2,6-9,12H2,3H3
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OCC2OC(OC3OC=C4C(=O)OCCC4C3C=C)C(O)C(O)C2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
Plantae--Lonicera caerulea Ref.
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OrganismLonicera caerulea
ReferenceK. Machida et al., Chem. Abs., (1995),123, 79638.