input word = C00032697

Metabolite InformationStructural formula
Name Actein
(-)-Actein
Formula C37H56O11
Mw 676.38226263
CAS RN 18642-44-9
C_ID C00032697 ,
InChIKey NEWMWGLPJQHSSQ-IXWPWQMXNA-N
InChICode InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
SMILES [C@@H]12[C@@H]([C@@]3([C@@](C1)([C@H]1[C@@]4(C[C@H]3OC(=O)C)[C@@]3([C@@H](CC1)C([C@H](CC3)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)(C)C)C4)C)C)[C@@H](C[C@]1(O2)[C@H]2[C@@]([C@H](O1)O)(O2)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCimicifuga foetida Ref.
PlantaeRanunculaceaeCimicifuga racemosa Ref.
--Actea racemosa Ref.
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