input word = C00049134

Metabolite InformationStructural formula
Name Chamaedrydiol
Formula C30H50O2
Mw 442.38108084
CAS RN 211300-38-8
C_ID C00049134 ,
InChIKey AZYALQHXSDRNMX-ZFBSOGDKNA-N
InChICode InChI=1S/C30H50O2/c1-18-11-13-27(5)15-16-29(7)20(24(27)19(18)2)9-10-23-28(6)17-21(31)25(32)26(3,4)22(28)12-14-30(23,29)8/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t18-,19+,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
SMILES [C@H]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(C[C@H]([C@@H](C1(C)C)O)O)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarsypianthes chamaedrys Ref.
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