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 COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C=C5OC(=O)C=C5[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrolemma pseudocoffea Ref.
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