input word = C00003730

Metabolite InformationStructural formula
Name Sergeolide
Formula C25H28O11
Mw 504.16316174
CAS RN 82290-17-3
C_ID C00003730 ,
InChIKey ZZKFDOQILIXHHH-SJHGFKTBNA-N
InChICode InChI=1S/C25H28O11/c1-9-11-5-15(27)35-13(11)7-23(3)12(9)6-14-24-8-33-25(22(31)32-4,20(29)16(28)18(23)24)19(24)17(21(30)36-14)34-10(2)26/h5,7,9,12,14,16-20,28-29H,6,8H2,1-4H3/t9-,12+,14-,16-,17-,18-,19-,20+,23+,24-,25+/m1/s1
SMILES C12=C[C@]3([C@H]([C@@H](C1=CC(=O)O2)C)C[C@@H]1[C@]24[C@@H]3[C@H]([C@@H]([C@]([C@@H]2[C@H](C(=O)O1)OC(=O)C)(OC4)C(=O)OC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrolemma pseudocoffea Ref.
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