input word = C00042671

Metabolite InformationStructural formula
Name Lanceolitol B4
Formula C28H52O12
Mw 580.34587713
CAS RN 862699-53-4
C_ID C00042671 ,
InChIKey GGRCCPGVMYMGMZ-YVZYEDGXNA-N
InChICode InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1
SMILES CCCCCC(C)CCCCCCCCC(=O)OC1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lanceolatum Ref.
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