input word = C00037699

Metabolite InformationStructural formula
Name Punicalin
Formula C34H22O22
Mw 782.06027239
CAS RN 65995-64-4
C_ID C00037699 ,
InChIKey GXGFDWGVOITBNW-UHFFFAOYNA-N
InChICode InChI=1S/C34H22O22/c35-3-9(38)21(42)28-10(39)4-53-31(49)5-1-7(36)19(40)22(43)11(5)13-17-15-16-18(34(52)56-29(15)26(47)24(13)45)14(25(46)27(48)30(16)55-33(17)51)12-6(32(50)54-28)2-8(37)20(41)23(12)44/h1-3,9-10,21,28,36-48H,4H2/t9-,10-,21+,28+/m0/s1
SMILES O=CC(O)C(O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus creticus Ref.
PlantaeLythraceaePunica granatum Ref.
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