input word = C00055101

Metabolite InformationStructural formula
Name Aquatidial
Formula C28H28O8
Mw 492.17841787
CAS RN 929258-34-4
C_ID C00055101
InChIKey CNEDYYGQQWMNKU-UHFFFAOYSA-N
InChICode InChI=1S/C28H28O8/c1-11(2)13-7-17(31)15(9-29)20-19(13)23(33)26(5)25(20)36-28(35)22-16(10-30)18(32)8-14(12(3)4)21(22)24(34)27(26,28)6/h7-12,25,31-32,35H,1-6H3
SMILES CC(C)c1cc(O)c(C=O)c2c1C(=O)C1(C)C2OC2(O)c3c(C=O)c(O)cc(C(C)C)c3C(=O)C21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaePachira aquatica Ref.
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