input word = C00003435

Metabolite InformationStructural formula
Name Huratoxin
Formula C34H48O8
Mw 584.33491851
CAS RN 33465-16-6
C_ID C00003435 ,
InChIKey VWGORPXMXKBHER-AKMMPJSWNA-N
InChICode InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24-,25-,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1
SMILES [C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@@H]4[C@@]51[C@@H](C[C@]1([C@@H]4O[C@@](O1)(O5)/C=C/C=C/CCCCCCCCC)C(=C)C)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeHura crepitans Ref.
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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OrganismHura crepitans
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52