input word = C00024113

Metabolite InformationStructural formula
Name epi-Kokoondiol
Formula C30H50O3
Mw 458.37599546
CAS RN 152869-06-2
C_ID C00024113 ,
InChIKey SQMGCOFTYBENRX-YNWUWLPQNA-N
InChICode InChI=1S/C30H50O3/c1-19-20(32)8-9-21-27(19,5)11-10-22-28(21,6)13-14-29(7)23-16-25(2,3)24(33)17-26(23,4)12-15-30(22,29)18-31/h19,21-24,31,33H,8-18H2,1-7H3/t19-,21-,22-,23+,24+,26-,27-,28-,29-,30-/m0/s1
SMILES C1C(=O)[C@@H]([C@]2([C@H](C1)[C@]1([C@H](CC2)[C@@]2([C@@](CC1)([C@H]1[C@@](CC2)(C[C@H](C(C1)(C)C)O)C)C)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia reticulata WIGHT var. beta-diandra Ref.
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