input word = C00003651

Metabolite InformationStructural formula
Name Ecdysone
Formula C27H44O6
Mw 464.31378914
CAS RN 3604-87-3
C_ID C00003651 ,
InChIKey UPEZCKBFRMILAV-XRNWSDMLNA-N
InChICode InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
SMILES [C@H]1([C@@H](C[C@@H]2[C@](C1)([C@@H]1C(=CC2=O)[C@]2([C@](CC1)([C@H](CC2)[C@@H]([C@@H](CCC(C)(C)O)O)C)C)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaZoanthidaeZoanthus sp. Ref.
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeBlechnaceaeBlechnum minus Ref.
PlantaeCaryophyllaceaeLychnis fulgens Ref.
PlantaeCaryophyllaceaeSilene italica ssp.nemaralis Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
PlantaePolypodiaceaePolypodium virginianum Ref.
PlantaePolypodiaceaePolypodium vulgare Ref.
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OrganismPteridium aquilinum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter56