input word = C00003516

Metabolite InformationStructural formula
Name Echinocystic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 510-30-5
C_ID C00003516 ,
InChIKey YKOPWPOFWMYZJZ-ZQSXDDOSNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeSchefflera capitata Ref.
PlantaeAsteraceaeEclipta prostrata Ref.
PlantaeChenopodiaceaeChenopodium ambrosioides Ref.
PlantaeFabaceaeAlbizia anthelmintica Ref.
PlantaeFabaceaeAlbizzia lebbeck Ref.
PlantaeFabaceaeMedicago arabica Ref.
PlantaeFabaceaeMedicago arborea Ref.
PlantaeFabaceaeMedicago hybrida Ref.
PlantaeFabaceaeMedicago polymorpha Ref.
PlantaeFabaceaeMedicago sativa Ref.
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OrganismSchefflera capitata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53