input word = C00046655

Metabolite InformationStructural formula
Name Caruifolin C
Formula C30H40O7
Mw 512.27740363
CAS RN 314734-65-1
C_ID C00046655 ,
InChIKey ZHXVHXSSXUYBOD-UHFFFAOYNA-N
InChICode InChI=1S/C30H40O7/c1-11-15-7-9-28(5,34)21-17(23(15)36-26(11)32)13(3)20-18(21)19-22(31)14(4)30(20)24(19)29(6,35)10-8-16-12(2)27(33)37-25(16)30/h11-12,15-16,18-25,31,34-35H,4,7-10H2,1-3,5-6H3/t11-,12-,15-,16-,18+,19+,20+,21+,22-,23+,24+,25-,28-,29+,30-/m0/s1
SMILES [C@@H]12C(=C([C@@H]3[C@H]1[C@H]1[C@H]4[C@]3([C@@H]3[C@@H](CC[C@]4(O)C)[C@@H](C(=O)O3)C)C(=C)[C@@H]1O)C)[C@H]1[C@@H](CC[C@@]2(O)C)[C@@H](C(=O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia caruifolia Ref.
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OrganismArtemisia caruifolia
ReferenceMa,J.Nat.Prod.,63,(2000),1626