input word = C00056884

Metabolite InformationStructural formula
Name Pterocaryanin B
Formula C27H22O18
Mw 634.0806139
CAS RN 115356-04-2
C_ID C00056884
InChIKey SVSWOTVGDUHTLH-UHFFFAOYSA-N
InChICode InChI=1S/C27H22O18/c28-5-14(34)23(44-25(40)7-1-10(30)18(35)11(31)2-7)24-15(6-29)43-26(41)8-3-12(32)19(36)21(38)16(8)17-9(27(42)45-24)4-13(33)20(37)22(17)39/h1-4,6,14-15,23-24,28,30-39H,5H2
SMILES O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(OC(=O)c1cc(O)c(O)c(O)c1)C(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea mollissima Ref.
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