input word = C00054649

Metabolite InformationStructural formula
Name Capsianoside A
Formula C76H124O33
Mw 1564.80248649
CAS RN 131603-03-7
C_ID C00054649
InChIKey KUPGGXGLYVOMMG-LABPGZLUSA-N
InChICode InChI=1S/C76H124O33/c1-13-75(11,108-72-63(94)57(88)53(84)47(33-78)102-72)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-66-59(90)50(81)43(9)100-73(66)98-36-49-55(86)58(89)62(93)71(104-49)106-65-51(82)44(10)99-69(64(65)95)97-35-41(7)25-17-23-37(3)20-15-21-38(4)27-19-29-76(12,14-2)109-74-67(60(91)54(85)48(34-79)103-74)107-70-61(92)56(87)52(83)46(32-77)101-70/h13-14,20,24-27,31,43-67,69-74,77-95H,1-2,15-19,21-23,28-30,32-36H2,3-12H3/b37-20+,38-27+,39-26+,40-24+,41-25-,42-31+/t43-,44-,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61+,62+,63+,64+,65+,66+,67+,69+,70-,71-,72-,73+,74-,75+,76+/m0/s1
SMILES O[C@@H]1[C@@H](O)[C@H](O[C@@](C=C)(C)CC/C=C(C)/CC/C=C(C)/C[C@@H](O)/C=C(C)/C(O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2OC[C@H]3O[C@@H](O[C@H]4[C@@H](O)[C@H](OC/C(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@](C=C)(C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](C)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)=O)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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