input word = C00006526

Metabolite InformationStructural formula
Name Hypnumbiflavonoid A
Formula C30H22O12
Mw 574.11112617
CAS RN 156250-62-3
C_ID C00006526 ,
InChIKey KKFWUGTXANEERY-UHFFFAOYNA-N
InChICode InChI=1S/C30H22O12/c31-12-3-1-11(2-4-12)27-25(38)24(37)21-16(35)10-18-22(28(21)42-27)30(6-5-13(32)9-19(30)40-18)29-26(39)23(36)20-15(34)7-14(33)8-17(20)41-29/h1-8,10,19,25-27,29,31,33-35,38-39H,9H2/t19-,25-,26+,27-,29-,30-/m0/s1
SMILES [C@@H]1(Oc2c(C(=O)[C@H]1O)c(cc(c2)O)O)[C@]12c3c4c(c(cc3O[C@H]1CC(=O)C=C2)O)C(=O)[C@@H]([C@H](c1ccc(cc1)O)O4)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypnaceaeHypnum cupressiforme Ref.
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