input word = C00058535

Metabolite InformationStructural formula
Name Isotirucallol
Formula C30H50O
Mw 426.38616622
CAS RN 138663-97-5
C_ID C00058535
InChIKey ISSSGGUZUSDMCE-REQHHNRLSA-N
InChICode InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,21,24-26,31H,9,11-19H2,1-8H3/t21-,24-,25+,26-,28-,29+,30+/m0/s1
SMILES CC(C)=CCC[C@H](C)C1=C2CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
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OrganismCamellia japonica
ReferenceT. Akihisa et al., Chem. Pharm. Bull., 1997, 45(12), 2016-2023.