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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O
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.
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