input word = C00056834

Metabolite InformationStructural formula
Name Physanoside B
Formula C25H40O12
Mw 532.25197674
CAS RN 1062971-43-0
C_ID C00056834
InChIKey WDNYAORDIIYQKT-XAOIRRIMSA-N
InChICode InChI=1S/C25H40O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h5-7,12,14-24,26,28-33H,8-10H2,1-4H3/b6-5+/t12-,14+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24+/m0/s1
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H](C)/C=C/[C@@H]3C(C)=CC(CC3(C)C)=O)O2)O[C@@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis alkekengi var. franchetii Ref.
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