input word = C00019065

Metabolite InformationStructural formula
Name Erythrodiol
3beta-Erythrodiol
Formula C30H50O2
Mw 442.38108084
CAS RN 545-48-2
C_ID C00019065 ,
InChIKey PSZDOEIIIJFCFE-OGEFKVSENA-N
InChICode InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23-,24+,27+,28-,29-,30-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@@](CC2)(CCC(C1)(C)C)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
PlantaeAsteraceaeConyza canadensis Ref.
PlantaeAsteraceaeConyza filaginoides Ref.
PlantaeCelastraceaeMaytenus ilicifolia Ref.
PlantaeCombretaceaeTerminalia brasiliensis Ref.
PlantaeDipterocarpaceaeVatica cinerea Ref.
PlantaeErythroxylaceaeErythroxylum passerinum Ref.
PlantaeEuphorbiaceaeEuphorbia micractina Ref.
PlantaeFabaceaeErythrina indica Ref.
PlantaeFabaceaeErythrina senegalensis Ref.
PlantaeFabaceaeErythrina variegata L. Ref.
PlantaeFabaceaePterocarpus santalinus Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeOleaceaeOlea europaea Ref.
PlantaePutranjivaceaeDrypetes molunduana Pax and Hoffm Ref.
PlantaeRosaceaeChaenomeles sinensis KOEHNE Ref.
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeTernstroemia gymnanthera Ref.
--Erythroxylon novogranatense Ref.
--Lemaireocereus longispinus Ref.
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