input word = C00046203

Metabolite InformationStructural formula
Name Neocalyxin B
(-)-Neocalyxin B
Formula C28H26O7
Mw 474.16785319
CAS RN 332877-87-9
C_ID C00046203 ,
InChIKey JKOQQSVLZXLHME-XTBUNMNMNA-N
InChICode InChI=1S/C28H26O7/c1-32-23-14-24-25(27-26(23)21(31)13-22(34-27)16-5-9-18(30)10-6-16)20-12-19(33-28(20)35-24)11-4-15-2-7-17(29)8-3-15/h2-3,5-10,14,19-20,22,28-30H,4,11-13H2,1H3/t19-,20-,22-,28+/m0/s1
SMILES c12c(cc(c3c1O[C@@H](CC3=O)c1ccc(cc1)O)OC)O[C@@H]1[C@H]2C[C@@H](O1)CCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZingiberaceaeAlpinia blepharocalyx Ref.
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