input word = C00055316

Metabolite InformationStructural formula
Name Alpinoid A
Formula C42H50O8
Mw 682.35056857
CAS RN 1005405-96-8
C_ID C00055316
InChIKey XDKNCHOSODDEEH-LQFQNGICSA-N
InChICode InChI=1S/C42H50O8/c1-47-35(27-33(43)19-15-29-11-7-5-8-12-29)21-17-31-23-37(41(45)39(25-31)49-3)38-24-32(26-40(50-4)42(38)46)18-22-36(48-2)28-34(44)20-16-30-13-9-6-10-14-30/h5-14,23-26,35-36,45-46H,15-22,27-28H2,1-4H3/t35-,36-/m1/s1
SMILES O=C(C[C@H](OC)CCC1=CC(C2=C(O)C(OC)=CC(CC[C@@H](OC)CC(CCC3=CC=CC=C3)=O)=C2)=C(O)C(OC)=C1)CCC4=CC=CC=C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia officinarum Ref.
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