input word = C00003645

Metabolite InformationStructural formula
Name 29-Isofucosterol
Formula C29H48O
Mw 412.37051615
CAS RN 18472-36-1
C_ID C00003645 ,
InChIKey WBYFDFJWHRNSJD-HEDOVODONA-N
InChICode InChI=1S/C29H48O/c1-7-21(19(2)3)11-10-20(4)23-14-15-24-22-12-13-26-27(30)9-8-17-28(26,5)25(22)16-18-29(23,24)6/h7,13,19-20,22-25,27,30H,8-12,14-18H2,1-6H3/b21-7-/t20-,22+,23-,24+,25+,27+,28-,29-/m1/s1
SMILES C1C[C@@H](C2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](CC/C(=C/C)/C(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeAvena sativa Ref.
--Enteromorpha linza Ref.
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OrganismAvena sativa
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter56