input word = C00045327

Metabolite InformationStructural formula
Name Isohelianol
Formula C30H52O
Mw 428.40181628
CAS RN 203570-12-1
C_ID C00045327 ,
InChIKey PDGUDHUKTNJAMM-KTGBOAGLNA-N
InChICode InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25+,26-,27+,28-,29+,30-/m1/s1
SMILES C1[C@H]([C@]2([C@](C1)([C@@H]1[C@](CC2)([C@@H](C(=C(C)C)CC1)CCCO)C)C)C)[C@@H](CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia antiquorum Ref.
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
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OrganismCamellia japonica
ReferenceT. Akihisa et al., J. Nat. Prod., 1998, 61, 409-412.