input word = C00042670

Metabolite InformationStructural formula
Name Lanceolitol B3
Formula C28H52O12
Mw 580.34587713
CAS RN 862699-52-3
C_ID C00042670 ,
InChIKey TXXNCQPRWTWBRI-PXTRKGEGNA-N
InChICode InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(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/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1
SMILES CC(C)CCCCCCCCCCCCC(=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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