input word = C00045128

Metabolite InformationStructural formula
Name Tupichigenin E
(-)-Tupichigenin E
Formula C27H42O5
Mw 446.30322445
CAS RN 497142-91-3
C_ID C00045128 ,
InChIKey GFMZVJNSWOANRO-OYPFNDFTNA-N
InChICode InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-6-9-26(30)13-17(28)11-22(29)25(26,4)19(18)7-8-24(20,23)3/h16-23,28-30H,1,5-14H2,2-4H3/t16-,17+,18+,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
SMILES C1[C@H](C[C@@]2([C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@@]2([C@H]1C)CCC(=C)CO2)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeTupistra chinensis Ref.
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