input word = C00003679

Metabolite InformationStructural formula
Name Carnosifloside I
Formula C42H68O13
Mw 780.46599226
CAS RN 109985-90-2
C_ID C00003679 ,
InChIKey FHOKVOIILRHONR-KCQPNAHGNA-N
InChICode InChI=1S/C42H68O13/c1-21(19-52-37-36(51)34(49)32(47)27(55-37)20-53-38-35(50)33(48)31(46)26(18-43)54-38)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(12-14-29(44)39(24,3)4)42(28,7)30(45)17-41(23,40)6/h9,11,22-23,25-29,31-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23-,25-,26-,27-,28+,29+,31-,32-,33+,34+,35+,36+,37-,38-,40+,41-,42+/m1/s1
SMILES C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(CC[C@@H]1[C@@H](CC/C=C(/CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)\C)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeHemsleya carnosiflora Ref.
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OrganismHemsleya carnosiflora
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter57