input word = C00003478

Metabolite InformationStructural formula
Name Resiniferatoxin
Formula C37H40O9
Mw 628.26723288
CAS RN 57444-62-9
C_ID C00003478 ,
InChIKey OYWHJFQVSOUQSF-DHRRVTDRNA-N
InChICode InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-28(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-25(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)15-26-11-12-27(38)16-29(26)42-5/h6-14,16,23,28,30,33,38,41H,1,15,17-20H2,2-5H3/t23-,28+,30-,33-,34-,35-,36-,37-/m1/s1
SMILES [C@@H]12[C@](CC(=C[C@@H]3[C@@]41[C@@H](C[C@]1([C@@H]3O[C@](O1)(O4)Cc1ccccc1)C(=C)C)C)COC(=O)Cc1ccc(cc1OC)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia poisonii Ref.
PlantaeEuphorbiaceaeEuphorbia resinifera Ref.
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OrganismEuphorbia resinifera
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52