input word = C00037683

Metabolite InformationStructural formula
Name Presenegenin
Formula C30H46O7
Mw 518.32435382
CAS RN 2163-40-8
C_ID C00037683 ,
InChIKey VGTALXLMFZXQSK-ZUIDFGJWNA-N
InChICode InChI=1S/C30H46O7/c1-25(2)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1
SMILES [C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)CO)C)C)(C)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala senega L. Ref.
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