input word = C00055302

Metabolite InformationStructural formula
Name Coflodiol
Formula C30H50O2
Mw 442.38108084
CAS RN 37384-13-7
C_ID C00055302
InChIKey RTLXJEJRLWILSU-GWNGJUQLSA-N
InChICode InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1
SMILES CC1(C)CC[C@@]2(C)C(=C3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
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OrganismCalendula officinalis
ReferenceSt. Pyrek, J.Pol. J. Chem. (Rocz. Chem.), 1977, 51, 2493