input word = C00019941

Metabolite InformationStructural formula
Name Khelmarin B
Formula C28H24O8
Mw 488.14711774
CAS RN 131580-38-6
C_ID C00019941 ,
InChIKey KULXGDVSYFDVNX-QYRYXDJWNA-N
InChICode InChI=1S/C28H24O8/c1-27(2)12-11-16-19(35-27)13-18-15(7-10-20(29)32-18)24(16)34-25-22-17(36-28(3,4)26(25)31)8-5-14-6-9-21(30)33-23(14)22/h5-13,25-26,31H,1-4H3/t25-,26-/m0/s1
SMILES CC1(C)C=Cc2c(cc3oc(=O)ccc3c2O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus canariculata Ref.
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