input word = C00003611

Metabolite InformationStructural formula
Name Cerbertin
Formula C32H46O10
Mw 590.30909769
CAS RN 7227-00-1
C_ID C00003611 ,
InChIKey IFNWZFVEJHHHIZ-CHHWZACVNA-N
InChICode InChI=1S/C32H46O10/c1-15-24(35)26(37-5)27(40-16(2)33)29(39-15)41-19-8-10-30(3)18(13-19)6-7-21-23(30)25-28(42-25)31(4)20(9-11-32(21,31)36)17-12-22(34)38-14-17/h12,15,18-21,23-29,35-36H,6-11,13-14H2,1-5H3/t15-,18-,19+,20-,21-,23-,24+,25+,26+,27-,28+,29-,30-,31+,32+/m1/s1
SMILES C1[C@@H](C[C@@H]2[C@@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H]3[C@H]1O3)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)OC)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera dilatata Ref.
PlantaeApocynaceaeCerbera floribunda Ref.
--Cerberta dilatata Ref.
--Cerberta floribunda Ref.
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OrganismCerberta dilatata
ReferenceCable,Aust.J.Chem.,18,(1965),1079