input word = C00055000

Metabolite InformationStructural formula
Name Carissol
Formula C30H50O
Mw 426.38616622
CAS RN 101915-51-9
C_ID C00055000
InChIKey FSLPMRQHCOLESF-XFMVIGHRSA-N
InChICode InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1
SMILES C[C@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCarissa carandas Ref.
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OrganismCarissa carandas
ReferenceNaim, Z. et al., Pak. J. Sci. Ind. Res., 1985, 28, 378-381 (isol, pmr, ms)