input word = C00009279

Metabolite InformationStructural formula
Name Pavetannin A2
Formula C30H24O12
Mw 576.12677623
CAS RN 130853-74-6
C_ID C00009279 ,
InChIKey NSEWTSAADLNHNH-ZZUQXWFGNA-N
InChICode InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27-,29+,30-/m1/s1
SMILES Oc1cc(O)c2c(c1)O[C@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@H]2[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sp. Ref.
PlantaeRosaceaePrunus spinosa Ref.
PlantaeRubiaceaePavetta owariensis Ref.
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