input word = C00054650

Metabolite InformationStructural formula
Name Capsianoside B
Formula C76H124O33
Mw 1564.80248649
CAS RN 121924-07-0
C_ID C00054650
InChIKey PRLBTECIKSGMOX-FWVKBYQLSA-N
InChICode InChI=1S/C76H124O33/c1-13-75(11,108-73-62(93)57(88)53(84)47(33-78)102-73)28-18-26-39(5)22-16-24-40(6)30-45(80)31-42(8)68(96)105-65-50(81)43(9)100-70(63(65)94)98-36-49-55(86)58(89)61(92)72(104-49)106-66-51(82)44(10)99-69(64(66)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(59(90)54(85)48(34-79)103-74)107-71-60(91)56(87)52(83)46(32-77)101-71/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]([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)[C@H]2O)=O)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
zoom in